REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1fo4_1_B DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLAYLRR KLGLRGTKLG CGEGGCGACT DATA SEQUENCE VMLSKYDRLQ DKIIHFSANA CLAPICTLHH VAVTTVEGIG STKTRLHPVQ DATA SEQUENCE ERIAKSHGSQ CGFCTPGIVM SMYTLLRNQP EPTVEEIEDA FQGNLCRCTG DATA SEQUENCE YRPILQGFRT FAKXXXXXXX XXXXXXXXXX XXXXXXXXXS PSLFNPEEFM DATA SEQUENCE PLDPTQEPIF PPELLRLKDV PPKQLRFEGE RVTWIQASTL KELLDLKAQH DATA SEQUENCE PEAKLVVGNT EIGIEMKFKN QLFPMIICPA WIPELNAVEH GPEGISFGAA DATA SEQUENCE CALSSVEKTL LEAVAKLPTQ KTEVFRGVLE QLRWFAGKQV KSVASLGGNI DATA SEQUENCE ITASPISDLN PVFMASGTKL TIVSRGTRRT VPMDHTFFPS YRKTLLGPEE DATA SEQUENCE ILLSIEIPYS REDEFFSAFK QASRREDDIA KVTCGMRVLF QPGSMQVKEL DATA SEQUENCE ALCYGGMADR TISALKTTQK QLSKFWNEKL LQDVCAGLAE ELSLSPDAPG DATA SEQUENCE GMIEFRRTLT LSFFFKFYLT VLKKLGXXXX XXXXKLDPTY TSATLLFQKH DATA SEQUENCE PPANIQLFQE VPNGQSKEDT VGRPLPHLAA AMQASGEAVY CDDIPRYENE DATA SEQUENCE LFLRLVTSTR AHAKIKSIDV SEAQKVPGFV CFLSADDIPG SNETGLFNDE DATA SEQUENCE TVFAKDTVTC VGHIIGAVVA DTPEHAERAA HVVKVTYEDL PAIITIEDAI DATA SEQUENCE KNNSFYGSEL KIEKGDLKKG FSEADNVVSG ELYIGGQDHF YLETHCTIAI DATA SEQUENCE PKGEEGEMEL FVSTQNAMKT QSFVAKMLGV PVNRILVRVK RMGGGFGGKE DATA SEQUENCE TRSTLVSVAV ALAAYKTGHP VRCMLDRNED MLITGGRHPF LARYKVGFMK DATA SEQUENCE TGTIVALEVD HYSNAGNSRD LSHSIMERAL FHMDNCYKIP NIRGTGRLCK DATA SEQUENCE TNLSSNTAFR GFGGPQALFI AENWMSEVAV TCGLPAEEVR WKNMYKEGDL DATA SEQUENCE THFNQRLEGF SVPRCWDECL KSSQYYARKS EVDKFNKENC WKKRGLCIIP DATA SEQUENCE TKFGISFTVP FLNQAGALIH VYTDGSVLVS HGGTEMGQGL HTKMVQVASK DATA SEQUENCE ALKIPISKIY ISETSTNTVP NSSPTAASVS TDIYGQAVYE ACQTILKRLE DATA SEQUENCE PFKKKNPDGS WEDWVMAAYQ DRVSLSTTGF YRTPNLGYSF ETNSGNAFHY DATA SEQUENCE FTYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTLEELH YSPEGSLHTR GPSTYKIPAF GSIPTEFRVS LLRDCPNKKA DATA SEQUENCE IYASKAVGEP PLFLGASVFF AIKDAIRAAR AQHTNNNTKE LFRLDSPATP DATA SEQUENCE EKIRNACVDK FTTLCVTGAP GNCKPWSLRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.622 177.584 0.063 0.000 1.274 3 A CA 0.000 52.066 52.037 0.048 0.000 0.836 3 A CB 0.000 19.018 19.000 0.029 0.000 0.831 4 D N 1.744 122.160 120.400 0.027 0.000 2.419 4 D HA 0.285 4.925 4.640 -0.000 0.000 0.236 4 D C -0.249 176.170 176.300 0.198 0.000 1.165 4 D CA 0.563 54.591 54.000 0.045 0.000 0.882 4 D CB 0.447 41.177 40.800 -0.117 0.000 1.201 4 D HN 0.438 nan 8.370 nan 0.000 0.443 5 E N 0.363 120.680 120.200 0.195 0.000 2.301 5 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 5 E C -0.442 176.362 176.600 0.340 0.000 1.030 5 E CA -0.809 55.730 56.400 0.231 0.000 0.852 5 E CB 1.500 31.306 29.700 0.178 0.000 1.060 5 E HN 0.129 nan 8.360 nan 0.000 0.401 6 L N 3.492 124.881 121.223 0.277 0.000 2.272 6 L HA 0.317 4.657 4.340 -0.000 0.000 0.289 6 L C -1.277 175.815 176.870 0.370 0.000 1.032 6 L CA -0.528 54.497 54.840 0.309 0.000 0.810 6 L CB 1.303 43.279 42.059 -0.139 0.000 1.205 6 L HN 0.240 nan 8.230 nan 0.000 0.422 7 V N 7.178 127.436 119.914 0.573 0.000 2.483 7 V HA 0.629 4.748 4.120 -0.000 0.000 0.297 7 V C -0.366 175.907 176.094 0.299 0.000 1.027 7 V CA -0.389 62.058 62.300 0.244 0.000 0.855 7 V CB 1.022 32.968 31.823 0.205 0.000 0.995 7 V HN 0.753 nan 8.190 nan 0.000 0.424 8 F N 2.617 122.571 119.950 0.007 0.000 2.754 8 F HA 0.890 5.417 4.527 -0.000 0.000 0.320 8 F C -1.809 173.995 175.800 0.007 0.000 1.156 8 F CA -1.406 56.662 58.000 0.114 0.000 0.950 8 F CB 1.446 40.492 39.000 0.078 0.000 1.388 8 F HN 0.228 nan 8.300 nan 0.000 0.485 9 F N 0.864 120.877 119.950 0.105 0.000 2.546 9 F HA 0.745 5.272 4.527 -0.000 0.000 0.320 9 F C -0.653 175.195 175.800 0.080 0.000 1.076 9 F CA -1.342 56.634 58.000 -0.040 0.000 0.928 9 F CB 2.301 41.237 39.000 -0.107 0.000 1.189 9 F HN 0.358 nan 8.300 nan 0.000 0.465 10 V N 3.103 123.101 119.914 0.141 0.000 2.482 10 V HA 0.295 4.415 4.120 -0.000 0.000 0.295 10 V C -0.538 175.605 176.094 0.081 0.000 1.026 10 V CA -1.298 61.084 62.300 0.137 0.000 0.856 10 V CB 1.334 33.230 31.823 0.122 0.000 1.001 10 V HN 0.818 nan 8.190 nan 0.000 0.424 11 N N 4.036 122.781 118.700 0.075 0.000 2.727 11 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 11 N C 1.243 176.783 175.510 0.051 0.000 1.048 11 N CA 1.660 54.733 53.050 0.038 0.000 0.714 11 N CB -1.073 37.419 38.487 0.008 0.000 0.959 11 N HN 1.563 nan 8.380 nan 0.000 0.544 12 G N -1.046 107.810 108.800 0.095 0.000 2.234 12 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 12 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 12 G C 0.045 175.057 174.900 0.187 0.000 0.987 12 G CA 0.869 46.040 45.100 0.117 0.000 0.625 12 G HN 0.676 nan 8.290 nan 0.000 0.532 13 K N 1.064 121.517 120.400 0.089 0.000 2.201 13 K HA 0.494 4.814 4.320 -0.000 0.000 0.278 13 K C 0.530 176.958 176.600 -0.287 0.000 1.027 13 K CA -0.726 55.536 56.287 -0.041 0.000 0.909 13 K CB 0.589 33.046 32.500 -0.072 0.000 1.062 13 K HN 0.175 nan 8.250 nan 0.000 0.465 14 K N 2.798 122.868 120.400 -0.550 0.000 2.382 14 K HA 0.119 4.439 4.320 -0.000 0.000 0.275 14 K C -1.154 175.017 176.600 -0.715 0.000 1.009 14 K CA -0.338 55.250 56.287 -1.164 0.000 0.970 14 K CB 0.791 32.755 32.500 -0.894 0.000 0.934 14 K HN 0.310 nan 8.250 nan 0.000 0.479 15 V N 4.897 124.317 119.914 -0.822 0.000 2.443 15 V HA 0.224 4.344 4.120 -0.000 0.000 0.293 15 V C -0.853 174.922 176.094 -0.531 0.000 1.021 15 V CA -0.918 60.985 62.300 -0.662 0.000 0.848 15 V CB 1.805 33.013 31.823 -1.024 0.000 0.998 15 V HN 0.513 nan 8.190 nan 0.000 0.424 16 V N 4.024 123.767 119.914 -0.284 0.000 2.293 16 V HA 0.412 4.532 4.120 -0.000 0.000 0.275 16 V C -0.119 175.942 176.094 -0.054 0.000 1.021 16 V CA -0.580 61.637 62.300 -0.138 0.000 0.815 16 V CB 1.478 33.249 31.823 -0.086 0.000 1.025 16 V HN 0.897 nan 8.190 nan 0.000 0.448 17 E N 4.016 124.206 120.200 -0.018 0.000 2.046 17 E HA 0.319 4.669 4.350 -0.000 0.000 0.279 17 E C 0.773 177.402 176.600 0.048 0.000 0.989 17 E CA -0.152 56.268 56.400 0.034 0.000 0.798 17 E CB 1.092 30.796 29.700 0.007 0.000 1.086 17 E HN 0.519 nan 8.360 nan 0.000 0.399 18 K N 3.006 123.440 120.400 0.056 0.000 2.366 18 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 18 K C 0.044 176.693 176.600 0.082 0.000 1.044 18 K CA 0.484 56.815 56.287 0.072 0.000 0.973 18 K CB 0.302 32.836 32.500 0.056 0.000 0.767 18 K HN 0.344 nan 8.250 nan 0.000 0.475 19 N N 0.797 119.535 118.700 0.064 0.000 2.672 19 N HA 0.147 4.887 4.740 -0.000 0.000 0.295 19 N C -1.321 174.204 175.510 0.025 0.000 1.924 19 N CA -0.093 52.996 53.050 0.064 0.000 0.851 19 N CB 1.510 40.033 38.487 0.060 0.000 1.281 19 N HN 0.030 nan 8.380 nan 0.000 0.494 20 A N 0.745 123.535 122.820 -0.051 0.000 2.520 20 A HA 0.040 4.360 4.320 -0.000 0.000 0.245 20 A C 0.265 177.762 177.584 -0.145 0.000 1.072 20 A CA 0.350 52.264 52.037 -0.204 0.000 0.761 20 A CB 0.376 19.025 19.000 -0.586 0.000 1.004 20 A HN 0.288 nan 8.150 nan 0.000 0.499 21 D N 3.156 123.486 120.400 -0.117 0.000 2.280 21 D HA 0.334 4.974 4.640 -0.000 0.000 0.236 21 D C -1.853 174.381 176.300 -0.110 0.000 1.082 21 D CA -1.861 52.107 54.000 -0.053 0.000 0.834 21 D CB 1.581 42.376 40.800 -0.008 0.000 1.100 21 D HN 0.126 nan 8.370 nan 0.000 0.486 22 P HA -0.146 nan 4.420 nan 0.000 0.218 22 P C 0.460 177.761 177.300 0.002 0.000 1.146 22 P CA 1.203 64.287 63.100 -0.027 0.000 0.820 22 P CB 0.315 32.166 31.700 0.251 0.000 0.778 23 E N -1.929 118.284 120.200 0.022 0.000 2.478 23 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 23 E C 0.082 176.674 176.600 -0.014 0.000 1.045 23 E CA 0.292 56.711 56.400 0.031 0.000 0.868 23 E CB -0.267 29.458 29.700 0.041 0.000 0.885 23 E HN 0.218 nan 8.360 nan 0.000 0.505 24 T N 2.551 117.071 114.554 -0.057 0.000 2.779 24 T HA 0.081 4.430 4.350 -0.000 0.000 0.296 24 T C 0.422 175.079 174.700 -0.072 0.000 0.938 24 T CA -0.126 61.945 62.100 -0.048 0.000 1.119 24 T CB 0.824 69.672 68.868 -0.033 0.000 0.891 24 T HN 0.152 nan 8.240 nan 0.000 0.526 25 T N 1.472 116.012 114.554 -0.024 0.000 2.874 25 T HA 0.332 4.682 4.350 -0.000 0.000 0.281 25 T C 1.363 176.059 174.700 -0.007 0.000 0.994 25 T CA -1.014 61.073 62.100 -0.022 0.000 1.015 25 T CB 0.763 69.641 68.868 0.016 0.000 1.028 25 T HN 0.254 nan 8.240 nan 0.000 0.523 26 L N 1.323 122.528 121.223 -0.029 0.000 2.046 26 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 26 L C 2.210 179.125 176.870 0.075 0.000 1.077 26 L CA 1.557 56.395 54.840 -0.004 0.000 0.747 26 L CB -1.368 40.661 42.059 -0.049 0.000 0.896 26 L HN 0.784 nan 8.230 nan 0.000 0.432 27 L N 0.120 121.375 121.223 0.053 0.000 2.012 27 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 27 L C 2.507 179.412 176.870 0.058 0.000 1.073 27 L CA 2.296 57.168 54.840 0.054 0.000 0.748 27 L CB -1.189 40.901 42.059 0.050 0.000 0.891 27 L HN 0.293 nan 8.230 nan 0.000 0.431 28 A N -1.622 121.231 122.820 0.056 0.000 1.902 28 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 28 A C 2.309 179.928 177.584 0.057 0.000 1.181 28 A CA 1.836 53.896 52.037 0.038 0.000 0.623 28 A CB -1.261 17.749 19.000 0.018 0.000 0.818 28 A HN 0.627 nan 8.150 nan 0.000 0.443 29 Y N 0.387 120.678 120.300 -0.016 0.000 2.145 29 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 29 Y C 2.082 177.996 175.900 0.022 0.000 1.145 29 Y CA 1.907 60.011 58.100 0.006 0.000 1.148 29 Y CB -0.269 38.210 38.460 0.032 0.000 0.981 29 Y HN 0.234 nan 8.280 nan 0.000 0.507 30 L N -0.519 120.793 121.223 0.148 0.000 1.994 30 L HA -0.263 4.076 4.340 -0.000 0.000 0.208 30 L C 2.586 179.448 176.870 -0.012 0.000 1.071 30 L CA 1.764 56.648 54.840 0.073 0.000 0.745 30 L CB -0.497 41.614 42.059 0.086 0.000 0.892 30 L HN 0.130 nan 8.230 nan 0.000 0.431 31 R N -0.771 119.726 120.500 -0.005 0.000 2.073 31 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 31 R C 2.468 178.743 176.300 -0.041 0.000 1.120 31 R CA 0.896 56.988 56.100 -0.014 0.000 0.967 31 R CB -0.110 30.196 30.300 0.011 0.000 0.862 31 R HN 0.343 nan 8.270 nan 0.000 0.436 32 R N 0.538 120.996 120.500 -0.070 0.000 2.048 32 R HA 0.041 4.380 4.340 -0.000 0.000 0.221 32 R C 2.165 178.371 176.300 -0.157 0.000 1.174 32 R CA 0.792 56.839 56.100 -0.088 0.000 0.971 32 R CB -0.519 29.727 30.300 -0.089 0.000 0.863 32 R HN -0.039 nan 8.270 nan 0.000 0.439 33 K N 1.499 121.722 120.400 -0.295 0.000 1.984 33 K HA 0.046 4.366 4.320 -0.000 0.000 0.209 33 K C 2.109 178.509 176.600 -0.334 0.000 1.046 33 K CA 1.218 57.249 56.287 -0.426 0.000 0.934 33 K CB -0.424 31.501 32.500 -0.958 0.000 0.717 33 K HN 0.055 nan 8.250 nan 0.000 0.438 34 L N -0.653 120.377 121.223 -0.322 0.000 2.478 34 L HA 0.141 4.481 4.340 -0.000 0.000 0.223 34 L C 1.067 177.875 176.870 -0.103 0.000 1.140 34 L CA 0.565 55.304 54.840 -0.169 0.000 0.842 34 L CB -0.444 41.566 42.059 -0.082 0.000 0.953 34 L HN 0.618 nan 8.230 nan 0.000 0.452 35 G N 1.061 109.803 108.800 -0.097 0.000 2.179 35 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 35 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 35 G C 0.130 175.004 174.900 -0.042 0.000 1.010 35 G CA -0.072 44.989 45.100 -0.065 0.000 0.736 35 G HN 0.288 nan 8.290 nan 0.000 0.513 36 L N -0.037 121.167 121.223 -0.032 0.000 2.287 36 L HA 0.445 4.785 4.340 -0.000 0.000 0.280 36 L C 1.469 178.333 176.870 -0.009 0.000 1.055 36 L CA -0.704 54.126 54.840 -0.017 0.000 0.863 36 L CB 0.936 42.991 42.059 -0.007 0.000 1.245 36 L HN 0.121 nan 8.230 nan 0.000 0.432 37 R N 1.384 121.881 120.500 -0.005 0.000 2.356 37 R HA 0.097 4.437 4.340 -0.000 0.000 0.234 37 R C 1.886 178.185 176.300 -0.001 0.000 0.929 37 R CA 0.279 56.383 56.100 0.006 0.000 1.084 37 R CB 0.265 30.581 30.300 0.026 0.000 1.105 37 R HN 0.773 nan 8.270 nan 0.000 0.515 38 G N 0.465 109.258 108.800 -0.013 0.000 2.422 38 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.218 38 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.218 38 G C 0.509 175.363 174.900 -0.077 0.000 1.140 38 G CA 0.432 45.516 45.100 -0.028 0.000 0.775 38 G HN 0.191 nan 8.290 nan 0.000 0.545 39 T N 2.427 116.944 114.554 -0.062 0.000 2.794 39 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 39 T C -0.055 174.579 174.700 -0.110 0.000 0.949 39 T CA -0.216 61.840 62.100 -0.074 0.000 1.101 39 T CB 1.432 70.285 68.868 -0.025 0.000 0.905 39 T HN 0.011 nan 8.240 nan 0.000 0.516 40 K N 2.107 122.387 120.400 -0.200 0.000 2.185 40 K HA 0.541 4.861 4.320 -0.000 0.000 0.240 40 K C -0.618 175.941 176.600 -0.068 0.000 0.983 40 K CA -1.158 54.968 56.287 -0.268 0.000 0.873 40 K CB 1.827 33.784 32.500 -0.905 0.000 1.118 40 K HN 0.396 nan 8.250 nan 0.000 0.441 41 L N 0.327 121.592 121.223 0.069 0.000 2.265 41 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 41 L C 0.613 177.644 176.870 0.268 0.000 1.033 41 L CA 0.511 55.442 54.840 0.152 0.000 0.814 41 L CB 1.188 43.336 42.059 0.149 0.000 1.203 41 L HN 0.821 nan 8.230 nan 0.000 0.423 42 G N 2.230 111.175 108.800 0.242 0.000 2.727 42 G HA2 0.132 4.092 3.960 -0.000 0.000 0.207 42 G HA3 0.132 4.092 3.960 -0.000 0.000 0.207 42 G C 0.700 175.722 174.900 0.205 0.000 1.060 42 G CA 0.680 45.948 45.100 0.281 0.000 0.814 42 G HN 0.935 nan 8.290 nan 0.000 0.576 43 C N -3.653 115.779 119.300 0.219 0.000 4.914 43 C HA 0.505 4.965 4.460 -0.000 0.000 0.505 43 C C 1.922 177.083 174.990 0.285 0.000 1.350 43 C CA 0.617 59.780 59.018 0.242 0.000 2.421 43 C CB 0.034 27.946 27.740 0.286 0.000 3.334 43 C HN 1.514 nan 8.230 nan 0.000 0.512 44 G N 1.656 110.606 108.800 0.250 0.000 2.225 44 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.267 44 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.267 44 G C 0.339 175.462 174.900 0.372 0.000 1.024 44 G CA 1.116 46.376 45.100 0.267 0.000 0.784 44 G HN 0.834 nan 8.290 nan 0.000 0.507 45 E N -1.326 119.043 120.200 0.282 0.000 2.572 45 E HA 0.386 4.736 4.350 -0.000 0.000 0.220 45 E C 1.882 178.565 176.600 0.138 0.000 0.945 45 E CA 0.532 57.038 56.400 0.177 0.000 1.070 45 E CB 0.055 29.781 29.700 0.042 0.000 1.090 45 E HN 1.271 nan 8.360 nan 0.000 0.506 46 G N 0.436 109.334 108.800 0.163 0.000 2.179 46 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 46 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 46 G C 0.804 175.789 174.900 0.141 0.000 0.977 46 G CA 0.255 45.442 45.100 0.146 0.000 0.641 46 G HN 0.440 nan 8.290 nan 0.000 0.533 47 G N -0.634 108.256 108.800 0.149 0.000 2.986 47 G HA2 0.277 4.236 3.960 -0.000 0.000 0.213 47 G HA3 0.277 4.236 3.960 -0.000 0.000 0.213 47 G C 1.668 176.679 174.900 0.185 0.000 1.156 47 G CA 1.794 46.982 45.100 0.147 0.000 0.763 47 G HN 1.480 nan 8.290 nan 0.000 0.547 48 C N -2.554 116.882 119.300 0.226 0.000 2.820 48 C HA 0.570 5.030 4.460 -0.000 0.000 0.323 48 C C 2.230 177.365 174.990 0.243 0.000 1.279 48 C CA 0.701 59.879 59.018 0.266 0.000 1.790 48 C CB -0.021 27.927 27.740 0.346 0.000 2.328 48 C HN 1.052 nan 8.230 nan 0.000 0.579 49 G N 0.993 109.914 108.800 0.202 0.000 2.184 49 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.264 49 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.264 49 G C 1.215 176.204 174.900 0.147 0.000 0.975 49 G CA 0.768 45.975 45.100 0.179 0.000 0.642 49 G HN 1.504 nan 8.290 nan 0.000 0.536 50 A N -0.212 122.690 122.820 0.136 0.000 2.125 50 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 50 A C 2.434 180.013 177.584 -0.008 0.000 1.156 50 A CA 2.376 54.441 52.037 0.046 0.000 0.671 50 A CB -0.822 18.198 19.000 0.033 0.000 0.794 50 A HN 1.841 nan 8.150 nan 0.000 0.459 51 C N -2.070 117.256 119.300 0.044 0.000 2.688 51 C HA 0.379 4.839 4.460 -0.000 0.000 0.297 51 C C 0.795 175.811 174.990 0.045 0.000 1.308 51 C CA -0.484 58.553 59.018 0.031 0.000 1.726 51 C CB -2.056 25.720 27.740 0.059 0.000 1.982 51 C HN 0.307 nan 8.230 nan 0.000 0.604 52 T N 2.781 117.371 114.554 0.059 0.000 2.928 52 T HA 0.414 4.764 4.350 -0.000 0.000 0.305 52 T C 0.325 175.047 174.700 0.036 0.000 1.035 52 T CA 0.910 63.048 62.100 0.065 0.000 1.145 52 T CB 0.765 69.689 68.868 0.093 0.000 0.963 52 T HN 1.005 nan 8.240 nan 0.000 0.545 53 V N 0.957 120.888 119.914 0.027 0.000 3.182 53 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 53 V C -0.788 175.299 176.094 -0.011 0.000 1.240 53 V CA -1.450 60.852 62.300 0.003 0.000 1.063 53 V CB 2.367 34.190 31.823 -0.000 0.000 1.076 53 V HN 0.866 nan 8.190 nan 0.000 0.446 54 M N 2.007 121.593 119.600 -0.024 0.000 2.436 54 M HA 0.707 5.187 4.480 -0.000 0.000 0.331 54 M C -1.938 174.286 176.300 -0.126 0.000 1.135 54 M CA -0.711 54.556 55.300 -0.055 0.000 0.987 54 M CB 1.690 34.315 32.600 0.042 0.000 1.687 54 M HN 0.760 nan 8.290 nan 0.000 0.445 55 L N 3.029 124.037 121.223 -0.359 0.000 2.346 55 L HA 0.626 4.966 4.340 -0.000 0.000 0.276 55 L C -0.678 175.977 176.870 -0.358 0.000 1.006 55 L CA -0.588 53.995 54.840 -0.429 0.000 0.817 55 L CB 2.254 43.850 42.059 -0.772 0.000 1.272 55 L HN 0.708 nan 8.230 nan 0.000 0.421 56 S N 2.116 117.819 115.700 0.006 0.000 2.542 56 S HA 0.788 5.258 4.470 -0.000 0.000 0.293 56 S C -1.080 173.695 174.600 0.291 0.000 1.089 56 S CA -0.879 57.432 58.200 0.184 0.000 0.961 56 S CB 2.422 65.912 63.200 0.484 0.000 1.062 56 S HN 0.671 nan 8.310 nan 0.000 0.483 57 K N 0.478 120.934 120.400 0.092 0.000 2.642 57 K HA 0.360 4.680 4.320 -0.000 0.000 0.290 57 K C -1.999 174.513 176.600 -0.146 0.000 1.006 57 K CA -0.975 55.404 56.287 0.153 0.000 0.869 57 K CB 0.844 33.492 32.500 0.246 0.000 1.499 57 K HN 0.516 nan 8.250 nan 0.000 0.403 58 Y N 1.712 121.920 120.300 -0.153 0.000 2.336 58 Y HA 0.265 4.815 4.550 -0.000 0.000 0.335 58 Y C -0.852 174.983 175.900 -0.108 0.000 1.046 58 Y CA -0.014 57.958 58.100 -0.213 0.000 1.198 58 Y CB 1.150 39.538 38.460 -0.120 0.000 1.182 58 Y HN 0.780 nan 8.280 nan 0.000 0.502 59 D N 4.684 124.609 120.400 -0.793 0.000 2.280 59 D HA 0.200 4.839 4.640 -0.000 0.000 0.236 59 D C 0.929 176.710 176.300 -0.864 0.000 1.082 59 D CA -0.498 53.152 54.000 -0.584 0.000 0.834 59 D CB 1.057 41.638 40.800 -0.365 0.000 1.100 59 D HN 0.594 nan 8.370 nan 0.000 0.486 60 R N 3.581 123.799 120.500 -0.469 0.000 2.075 60 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 60 R C 1.804 177.991 176.300 -0.189 0.000 1.140 60 R CA 1.498 57.456 56.100 -0.237 0.000 0.928 60 R CB -1.222 29.064 30.300 -0.023 0.000 0.834 60 R HN 0.575 nan 8.270 nan 0.000 0.429 61 L N 1.097 122.231 121.223 -0.148 0.000 2.021 61 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 61 L C 1.735 178.529 176.870 -0.127 0.000 1.074 61 L CA 2.110 56.883 54.840 -0.111 0.000 0.760 61 L CB -0.594 41.407 42.059 -0.097 0.000 0.889 61 L HN 0.449 nan 8.230 nan 0.000 0.433 62 Q N -1.174 118.515 119.800 -0.185 0.000 2.392 62 Q HA -0.013 4.327 4.340 -0.000 0.000 0.203 62 Q C 0.033 175.919 176.000 -0.189 0.000 0.917 62 Q CA 0.473 56.173 55.803 -0.171 0.000 0.939 62 Q CB 0.147 28.778 28.738 -0.179 0.000 1.063 62 Q HN 0.564 nan 8.270 nan 0.000 0.516 63 D N 1.539 121.779 120.400 -0.267 0.000 2.735 63 D HA -0.207 4.433 4.640 -0.000 0.000 0.235 63 D C -0.796 175.414 176.300 -0.150 0.000 1.175 63 D CA 1.218 55.118 54.000 -0.167 0.000 0.683 63 D CB -0.707 40.101 40.800 0.014 0.000 1.008 63 D HN 0.254 nan 8.370 nan 0.000 0.416 64 K N 0.431 120.605 120.400 -0.376 0.000 2.575 64 K HA 0.394 4.714 4.320 -0.000 0.000 0.279 64 K C -0.989 175.399 176.600 -0.354 0.000 0.969 64 K CA -0.983 55.161 56.287 -0.239 0.000 0.868 64 K CB 0.892 33.277 32.500 -0.192 0.000 1.457 64 K HN -0.029 nan 8.250 nan 0.000 0.426 65 I N 4.884 125.257 120.570 -0.328 0.000 2.352 65 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 65 I C 0.544 176.314 176.117 -0.578 0.000 1.036 65 I CA -0.423 60.554 61.300 -0.539 0.000 1.336 65 I CB 0.215 37.797 38.000 -0.697 0.000 1.407 65 I HN 0.514 nan 8.210 nan 0.000 0.497 66 I N 4.627 124.906 120.570 -0.486 0.000 2.498 66 I HA 0.523 4.693 4.170 -0.000 0.000 0.301 66 I C -0.596 175.296 176.117 -0.375 0.000 0.984 66 I CA -0.423 60.668 61.300 -0.348 0.000 1.204 66 I CB 1.740 39.673 38.000 -0.112 0.000 1.362 66 I HN 0.376 nan 8.210 nan 0.000 0.471 67 H N 5.644 124.757 119.070 0.072 0.000 2.600 67 H HA 0.634 5.190 4.556 -0.000 0.000 0.357 67 H C -1.194 174.234 175.328 0.166 0.000 1.106 67 H CA -0.436 55.639 56.048 0.045 0.000 1.193 67 H CB 1.947 31.688 29.762 -0.034 0.000 1.594 67 H HN 0.748 nan 8.280 nan 0.000 0.526 68 F N -0.621 119.389 119.950 0.100 0.000 2.668 68 F HA 0.513 5.039 4.527 -0.000 0.000 0.309 68 F C -0.446 175.382 175.800 0.047 0.000 1.117 68 F CA -1.185 56.838 58.000 0.038 0.000 0.951 68 F CB 1.056 40.061 39.000 0.008 0.000 1.323 68 F HN 0.387 nan 8.300 nan 0.000 0.451 69 S N 1.551 117.362 115.700 0.184 0.000 2.672 69 S HA 0.954 5.424 4.470 -0.000 0.000 0.276 69 S C -0.501 174.204 174.600 0.176 0.000 1.207 69 S CA 0.037 58.292 58.200 0.092 0.000 1.002 69 S CB 1.464 64.707 63.200 0.071 0.000 0.998 69 S HN 1.921 nan 8.310 nan 0.000 0.542 70 A N 1.269 124.153 122.820 0.106 0.000 2.605 70 A HA 0.579 4.899 4.320 -0.000 0.000 0.294 70 A C -1.286 176.358 177.584 0.099 0.000 1.062 70 A CA -1.033 51.087 52.037 0.139 0.000 0.682 70 A CB 0.817 19.913 19.000 0.160 0.000 1.278 70 A HN 0.774 nan 8.150 nan 0.000 0.410 71 N N 1.397 120.164 118.700 0.111 0.000 2.411 71 N HA 0.336 5.076 4.740 -0.000 0.000 0.259 71 N C 1.126 176.687 175.510 0.084 0.000 1.103 71 N CA 0.596 53.707 53.050 0.102 0.000 0.954 71 N CB 1.731 40.290 38.487 0.120 0.000 1.085 71 N HN 0.794 nan 8.380 nan 0.000 0.485 72 A N 1.757 124.616 122.820 0.066 0.000 2.067 72 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 72 A C 2.209 179.828 177.584 0.058 0.000 1.158 72 A CA 0.908 52.974 52.037 0.049 0.000 0.661 72 A CB -0.518 18.505 19.000 0.039 0.000 0.801 72 A HN 0.877 nan 8.150 nan 0.000 0.452 73 C N -2.205 117.143 119.300 0.080 0.000 2.456 73 C HA 0.315 4.775 4.460 -0.000 0.000 0.279 73 C C 1.827 176.878 174.990 0.102 0.000 1.427 73 C CA 0.560 59.634 59.018 0.093 0.000 1.778 73 C CB -1.326 26.487 27.740 0.122 0.000 1.842 73 C HN 0.449 nan 8.230 nan 0.000 0.531 74 L N 0.497 121.783 121.223 0.104 0.000 2.858 74 L HA 0.371 4.711 4.340 -0.000 0.000 0.251 74 L C 1.341 178.268 176.870 0.094 0.000 1.149 74 L CA 0.174 55.082 54.840 0.114 0.000 0.955 74 L CB -0.172 41.967 42.059 0.134 0.000 1.289 74 L HN 0.232 nan 8.230 nan 0.000 0.542 75 A N 1.663 124.522 122.820 0.064 0.000 2.310 75 A HA 0.530 4.850 4.320 -0.000 0.000 0.300 75 A C -2.432 175.135 177.584 -0.029 0.000 1.269 75 A CA -1.191 50.867 52.037 0.036 0.000 0.909 75 A CB -0.263 18.749 19.000 0.020 0.000 1.144 75 A HN -0.103 nan 8.150 nan 0.000 0.540 76 P HA 0.132 nan 4.420 nan 0.000 0.276 76 P C 1.156 178.263 177.300 -0.321 0.000 1.230 76 P CA -0.359 62.645 63.100 -0.160 0.000 0.776 76 P CB 0.593 32.215 31.700 -0.130 0.000 0.888 77 I N -0.315 120.002 120.570 -0.421 0.000 2.567 77 I HA -0.182 3.988 4.170 -0.000 0.000 0.257 77 I C 1.108 176.816 176.117 -0.682 0.000 1.184 77 I CA 1.308 62.248 61.300 -0.599 0.000 1.451 77 I CB -0.926 36.666 38.000 -0.680 0.000 1.089 77 I HN 0.167 nan 8.210 nan 0.000 0.441 78 C N 1.997 120.792 119.300 -0.842 0.000 2.466 78 C HA -0.042 4.418 4.460 -0.000 0.000 0.283 78 C C 2.729 177.346 174.990 -0.621 0.000 1.472 78 C CA 1.507 59.863 59.018 -1.103 0.000 1.765 78 C CB -1.774 24.800 27.740 -1.944 0.000 1.724 78 C HN 0.735 nan 8.230 nan 0.000 0.560 79 T N -2.875 111.470 114.554 -0.349 0.000 3.086 79 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 79 T C 0.928 175.669 174.700 0.068 0.000 1.074 79 T CA 0.378 62.493 62.100 0.025 0.000 0.988 79 T CB -0.256 68.693 68.868 0.135 0.000 0.988 79 T HN 0.464 nan 8.240 nan 0.000 0.530 80 L N 0.891 122.060 121.223 -0.090 0.000 2.685 80 L HA 0.361 4.701 4.340 -0.000 0.000 0.233 80 L C 0.595 177.551 176.870 0.143 0.000 1.173 80 L CA -0.598 54.200 54.840 -0.069 0.000 0.961 80 L CB -0.749 41.022 42.059 -0.480 0.000 1.217 80 L HN 0.292 nan 8.230 nan 0.000 0.478 81 H N 1.145 120.351 119.070 0.227 0.000 3.046 81 H HA -0.013 4.543 4.556 -0.000 0.000 0.303 81 H C 0.387 175.981 175.328 0.444 0.000 1.002 81 H CA 0.724 56.991 56.048 0.366 0.000 1.460 81 H CB -0.223 29.819 29.762 0.466 0.000 1.493 81 H HN 0.206 nan 8.280 nan 0.000 0.559 82 H N 1.381 120.443 119.070 -0.013 0.000 2.886 82 H HA -0.147 4.409 4.556 -0.000 0.000 0.294 82 H C -0.848 174.588 175.328 0.180 0.000 1.246 82 H CA 0.200 56.269 56.048 0.035 0.000 1.142 82 H CB -1.387 28.339 29.762 -0.061 0.000 1.358 82 H HN 0.193 nan 8.280 nan 0.000 0.406 83 V N 0.263 120.392 119.914 0.359 0.000 2.680 83 V HA 0.681 4.801 4.120 -0.000 0.000 0.309 83 V C 0.182 176.451 176.094 0.291 0.000 1.052 83 V CA -0.231 62.248 62.300 0.299 0.000 0.908 83 V CB 1.934 33.895 31.823 0.230 0.000 1.001 83 V HN 0.401 nan 8.190 nan 0.000 0.431 84 A N 4.159 127.117 122.820 0.230 0.000 2.260 84 A HA 0.763 5.083 4.320 -0.000 0.000 0.314 84 A C -0.587 177.099 177.584 0.170 0.000 1.257 84 A CA -0.401 51.739 52.037 0.173 0.000 0.871 84 A CB 0.822 19.819 19.000 -0.004 0.000 1.166 84 A HN 0.651 nan 8.150 nan 0.000 0.522 85 V N 2.509 122.536 119.914 0.189 0.000 2.472 85 V HA 0.562 4.682 4.120 -0.000 0.000 0.290 85 V C 0.242 176.390 176.094 0.090 0.000 1.037 85 V CA -0.200 62.172 62.300 0.119 0.000 0.908 85 V CB 1.755 33.669 31.823 0.152 0.000 0.985 85 V HN 0.902 nan 8.190 nan 0.000 0.454 86 T N 3.134 117.713 114.554 0.041 0.000 2.840 86 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 86 T C 0.090 174.763 174.700 -0.045 0.000 0.991 86 T CA -0.503 61.595 62.100 -0.003 0.000 0.964 86 T CB 1.468 70.332 68.868 -0.006 0.000 0.954 86 T HN 0.937 nan 8.240 nan 0.000 0.438 87 T N -0.680 113.839 114.554 -0.058 0.000 2.922 87 T HA 0.482 4.832 4.350 -0.000 0.000 0.281 87 T C 1.565 176.191 174.700 -0.124 0.000 1.005 87 T CA -0.599 61.463 62.100 -0.065 0.000 0.982 87 T CB 1.089 69.941 68.868 -0.027 0.000 1.158 87 T HN 0.188 nan 8.240 nan 0.000 0.566 88 V N 1.420 121.273 119.914 -0.100 0.000 2.332 88 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 88 V C 2.515 178.543 176.094 -0.109 0.000 1.055 88 V CA 2.547 64.778 62.300 -0.115 0.000 1.038 88 V CB -1.049 30.736 31.823 -0.063 0.000 0.651 88 V HN 0.971 nan 8.190 nan 0.000 0.450 89 E N 0.059 120.216 120.200 -0.072 0.000 2.516 89 E HA -0.015 4.335 4.350 -0.000 0.000 0.199 89 E C 1.895 178.455 176.600 -0.068 0.000 1.069 89 E CA 1.026 57.394 56.400 -0.055 0.000 0.876 89 E CB -0.497 29.184 29.700 -0.032 0.000 0.843 89 E HN 0.643 nan 8.360 nan 0.000 0.530 90 G N 2.001 110.738 108.800 -0.105 0.000 2.777 90 G HA2 0.056 4.015 3.960 -0.000 0.000 0.211 90 G HA3 0.056 4.015 3.960 -0.000 0.000 0.211 90 G C 1.572 176.377 174.900 -0.159 0.000 1.149 90 G CA 0.333 45.369 45.100 -0.107 0.000 0.785 90 G HN 0.433 nan 8.290 nan 0.000 0.536 91 I N -3.429 116.995 120.570 -0.244 0.000 4.057 91 I HA 0.592 4.761 4.170 -0.000 0.000 0.334 91 I C 0.613 176.698 176.117 -0.054 0.000 1.308 91 I CA 0.144 61.278 61.300 -0.276 0.000 1.125 91 I CB 0.801 38.333 38.000 -0.780 0.000 1.034 91 I HN 0.068 nan 8.210 nan 0.000 0.401 92 G N 0.938 109.714 108.800 -0.039 0.000 2.328 92 G HA2 0.416 4.376 3.960 -0.000 0.000 0.299 92 G HA3 0.416 4.376 3.960 -0.000 0.000 0.299 92 G C -1.258 173.647 174.900 0.008 0.000 1.435 92 G CA 0.004 45.117 45.100 0.020 0.000 0.865 92 G HN 0.573 nan 8.290 nan 0.000 0.601 93 S N -2.319 113.393 115.700 0.020 0.000 2.611 93 S HA 0.680 5.150 4.470 -0.000 0.000 0.268 93 S C 0.901 175.515 174.600 0.022 0.000 1.156 93 S CA 0.801 59.011 58.200 0.016 0.000 0.817 93 S CB 1.164 64.368 63.200 0.006 0.000 1.122 93 S HN 2.144 nan 8.310 nan 0.000 0.466 94 T N -1.248 113.319 114.554 0.022 0.000 3.118 94 T HA 0.175 4.525 4.350 -0.000 0.000 0.260 94 T C 1.040 175.750 174.700 0.017 0.000 1.139 94 T CA 0.629 62.744 62.100 0.024 0.000 1.085 94 T CB -0.486 68.399 68.868 0.029 0.000 0.934 94 T HN 0.635 nan 8.240 nan 0.000 0.518 95 K N 0.918 121.325 120.400 0.011 0.000 2.314 95 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 95 K C 2.156 178.760 176.600 0.006 0.000 1.045 95 K CA 1.197 57.486 56.287 0.005 0.000 0.988 95 K CB 0.248 32.747 32.500 -0.001 0.000 0.783 95 K HN 0.616 nan 8.250 nan 0.000 0.484 96 T N -1.575 112.985 114.554 0.011 0.000 3.422 96 T HA 0.200 4.550 4.350 -0.000 0.000 0.192 96 T C 0.152 174.864 174.700 0.019 0.000 0.857 96 T CA -0.468 61.640 62.100 0.013 0.000 1.400 96 T CB 0.140 69.016 68.868 0.014 0.000 1.864 96 T HN 0.001 nan 8.240 nan 0.000 0.415 97 R N -0.093 120.422 120.500 0.025 0.000 2.561 97 R HA 0.534 4.873 4.340 -0.000 0.000 0.266 97 R C -1.679 174.646 176.300 0.041 0.000 1.091 97 R CA -0.727 55.391 56.100 0.030 0.000 0.927 97 R CB 1.321 31.637 30.300 0.027 0.000 1.240 97 R HN 0.426 nan 8.270 nan 0.000 0.449 98 L N 3.669 124.919 121.223 0.045 0.000 2.439 98 L HA 0.250 4.590 4.340 -0.000 0.000 0.269 98 L C 0.794 177.718 176.870 0.089 0.000 1.179 98 L CA -0.488 54.391 54.840 0.065 0.000 0.828 98 L CB 0.510 42.601 42.059 0.054 0.000 1.106 98 L HN 0.554 nan 8.230 nan 0.000 0.467 99 H N 4.038 123.127 119.070 0.032 0.000 2.615 99 H HA 0.110 4.666 4.556 -0.000 0.000 0.363 99 H C -1.953 173.434 175.328 0.098 0.000 1.148 99 H CA -1.632 54.454 56.048 0.064 0.000 1.401 99 H CB 1.870 31.661 29.762 0.049 0.000 1.461 99 H HN 0.312 nan 8.280 nan 0.000 0.588 100 P HA -0.218 nan 4.420 nan 0.000 0.218 100 P C 1.705 179.238 177.300 0.388 0.000 1.154 100 P CA 1.349 64.499 63.100 0.082 0.000 0.872 100 P CB 0.247 32.003 31.700 0.093 0.000 0.790 101 V N -0.557 119.764 119.914 0.679 0.000 2.295 101 V HA -0.295 3.824 4.120 -0.000 0.000 0.246 101 V C 2.436 178.777 176.094 0.410 0.000 1.049 101 V CA 1.942 64.564 62.300 0.537 0.000 1.024 101 V CB -1.326 30.662 31.823 0.275 0.000 0.648 101 V HN 0.208 nan 8.190 nan 0.000 0.447 102 Q N -0.266 119.706 119.800 0.286 0.000 2.079 102 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 102 Q C 2.361 178.408 176.000 0.077 0.000 0.974 102 Q CA 1.736 57.637 55.803 0.163 0.000 0.840 102 Q CB -0.226 28.581 28.738 0.116 0.000 0.898 102 Q HN 0.757 nan 8.270 nan 0.000 0.430 103 E N 1.268 121.492 120.200 0.041 0.000 2.077 103 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 103 E C 1.985 178.439 176.600 -0.243 0.000 0.989 103 E CA 0.951 57.309 56.400 -0.070 0.000 0.800 103 E CB 0.134 29.788 29.700 -0.077 0.000 0.746 103 E HN 0.243 nan 8.360 nan 0.000 0.452 104 R N 0.228 120.519 120.500 -0.349 0.000 2.090 104 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 104 R C 2.624 178.674 176.300 -0.416 0.000 1.110 104 R CA 1.219 56.911 56.100 -0.679 0.000 0.973 104 R CB -0.385 29.507 30.300 -0.679 0.000 0.869 104 R HN 0.324 nan 8.270 nan 0.000 0.440 105 I N 0.703 121.164 120.570 -0.181 0.000 2.394 105 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 105 I C 2.160 178.139 176.117 -0.231 0.000 1.136 105 I CA 1.058 62.181 61.300 -0.295 0.000 1.425 105 I CB -0.031 37.887 38.000 -0.138 0.000 1.079 105 I HN 0.149 nan 8.210 nan 0.000 0.425 106 A N 0.621 123.349 122.820 -0.153 0.000 1.872 106 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 106 A C 2.266 179.740 177.584 -0.182 0.000 1.187 106 A CA 1.367 53.336 52.037 -0.114 0.000 0.614 106 A CB -0.408 18.565 19.000 -0.045 0.000 0.826 106 A HN 0.358 nan 8.150 nan 0.000 0.442 107 K N 0.276 120.551 120.400 -0.208 0.000 2.288 107 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 107 K C 1.513 177.810 176.600 -0.505 0.000 1.048 107 K CA 1.140 57.302 56.287 -0.208 0.000 0.956 107 K CB -0.012 32.528 32.500 0.067 0.000 0.746 107 K HN 0.362 nan 8.250 nan 0.000 0.461 108 S N 0.106 115.436 115.700 -0.615 0.000 2.593 108 S HA 0.009 4.479 4.470 -0.000 0.000 0.217 108 S C -0.378 173.952 174.600 -0.449 0.000 0.966 108 S CA -0.071 57.615 58.200 -0.858 0.000 0.914 108 S CB -0.144 62.501 63.200 -0.926 0.000 0.776 108 S HN 0.313 nan 8.310 nan 0.000 0.523 109 H N -1.152 117.854 119.070 -0.106 0.000 2.903 109 H HA -0.141 4.415 4.556 -0.000 0.000 0.285 109 H C 1.140 176.418 175.328 -0.085 0.000 1.231 109 H CA 0.656 56.675 56.048 -0.048 0.000 1.135 109 H CB -1.825 27.935 29.762 -0.002 0.000 1.328 109 H HN 0.504 nan 8.280 nan 0.000 0.388 110 G N -0.304 108.429 108.800 -0.112 0.000 2.985 110 G HA2 0.169 4.129 3.960 -0.000 0.000 0.209 110 G HA3 0.169 4.129 3.960 -0.000 0.000 0.209 110 G C 0.499 175.343 174.900 -0.093 0.000 1.165 110 G CA 0.768 45.784 45.100 -0.140 0.000 0.776 110 G HN 0.370 nan 8.290 nan 0.000 0.541 111 S N -1.038 114.628 115.700 -0.057 0.000 2.594 111 S HA 0.530 4.999 4.470 -0.000 0.000 0.296 111 S C 0.271 174.831 174.600 -0.067 0.000 1.124 111 S CA -0.635 57.533 58.200 -0.052 0.000 1.011 111 S CB 1.993 65.160 63.200 -0.055 0.000 1.016 111 S HN 0.301 nan 8.310 nan 0.000 0.485 112 Q N 1.578 121.344 119.800 -0.056 0.000 2.558 112 Q HA 0.101 4.441 4.340 -0.000 0.000 0.186 112 Q C 2.220 178.152 176.000 -0.112 0.000 0.894 112 Q CA 0.843 56.613 55.803 -0.055 0.000 0.830 112 Q CB -0.374 28.384 28.738 0.033 0.000 1.107 112 Q HN 0.964 nan 8.270 nan 0.000 0.620 113 C N -0.534 118.773 119.300 0.013 0.000 2.446 113 C HA 0.341 4.801 4.460 -0.000 0.000 0.279 113 C C 1.717 176.807 174.990 0.167 0.000 1.366 113 C CA 0.563 59.626 59.018 0.076 0.000 1.763 113 C CB -0.936 26.865 27.740 0.102 0.000 1.929 113 C HN 0.879 nan 8.230 nan 0.000 0.509 114 G N -0.542 108.331 108.800 0.121 0.000 2.179 114 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.260 114 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.260 114 G C 0.395 175.410 174.900 0.192 0.000 0.977 114 G CA 0.503 45.696 45.100 0.155 0.000 0.641 114 G HN 0.580 nan 8.290 nan 0.000 0.533 115 F N 1.232 121.154 119.950 -0.045 0.000 2.234 115 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 115 F C 2.789 178.534 175.800 -0.090 0.000 1.087 115 F CA 2.187 60.023 58.000 -0.272 0.000 1.340 115 F CB -0.234 38.560 39.000 -0.344 0.000 1.031 115 F HN 0.602 nan 8.300 nan 0.000 0.500 116 C N -1.900 117.454 119.300 0.091 0.000 2.563 116 C HA 0.099 4.558 4.460 -0.000 0.000 0.268 116 C C 2.460 177.485 174.990 0.058 0.000 1.365 116 C CA 0.625 59.691 59.018 0.080 0.000 1.754 116 C CB -1.477 26.356 27.740 0.156 0.000 1.932 116 C HN 0.365 nan 8.230 nan 0.000 0.536 117 T N 3.167 117.748 114.554 0.045 0.000 2.635 117 T HA -0.115 4.234 4.350 -0.000 0.000 0.267 117 T C -0.295 174.441 174.700 0.060 0.000 1.040 117 T CA 2.692 64.828 62.100 0.060 0.000 1.156 117 T CB -1.528 67.370 68.868 0.051 0.000 0.863 117 T HN 0.437 nan 8.240 nan 0.000 0.430 118 P HA -0.077 nan 4.420 nan 0.000 0.215 118 P C 1.773 179.090 177.300 0.028 0.000 1.157 118 P CA 1.389 64.489 63.100 -0.001 0.000 0.874 118 P CB -0.531 31.134 31.700 -0.059 0.000 0.790 119 G N -0.640 108.177 108.800 0.028 0.000 2.422 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 119 G C 1.523 176.517 174.900 0.158 0.000 1.146 119 G CA 0.514 45.661 45.100 0.078 0.000 0.769 119 G HN 0.246 nan 8.290 nan 0.000 0.547 120 I N 0.126 120.810 120.570 0.190 0.000 2.500 120 I HA -0.079 4.091 4.170 -0.000 0.000 0.252 120 I C 2.677 178.994 176.117 0.334 0.000 1.142 120 I CA 0.124 61.590 61.300 0.277 0.000 1.451 120 I CB 0.027 38.148 38.000 0.202 0.000 1.093 120 I HN 0.014 nan 8.210 nan 0.000 0.430 121 V N 0.629 120.685 119.914 0.238 0.000 2.295 121 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 121 V C 2.502 178.669 176.094 0.122 0.000 1.049 121 V CA 1.568 63.990 62.300 0.204 0.000 1.024 121 V CB -0.397 31.499 31.823 0.122 0.000 0.648 121 V HN 0.361 nan 8.190 nan 0.000 0.447 122 M N -0.669 118.986 119.600 0.092 0.000 2.229 122 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 122 M C 2.374 178.731 176.300 0.095 0.000 1.063 122 M CA 1.404 56.746 55.300 0.069 0.000 1.114 122 M CB -1.463 31.155 32.600 0.031 0.000 1.387 122 M HN 0.314 nan 8.290 nan 0.000 0.420 123 S N 0.520 116.303 115.700 0.138 0.000 2.368 123 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 123 S C 1.847 176.404 174.600 -0.071 0.000 1.029 123 S CA 1.259 59.504 58.200 0.075 0.000 0.988 123 S CB -0.211 63.117 63.200 0.213 0.000 0.838 123 S HN 0.393 nan 8.310 nan 0.000 0.462 124 M N 0.346 119.959 119.600 0.021 0.000 2.156 124 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 124 M C 1.715 177.841 176.300 -0.289 0.000 1.067 124 M CA 1.335 56.483 55.300 -0.252 0.000 1.131 124 M CB -0.725 31.588 32.600 -0.478 0.000 1.368 124 M HN 0.359 nan 8.290 nan 0.000 0.416 125 Y N 0.367 120.498 120.300 -0.282 0.000 2.128 125 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 125 Y C 2.045 177.783 175.900 -0.270 0.000 1.154 125 Y CA 2.467 60.377 58.100 -0.317 0.000 1.149 125 Y CB -0.852 37.422 38.460 -0.310 0.000 0.976 125 Y HN 0.287 nan 8.280 nan 0.000 0.505 126 T N 1.223 115.683 114.554 -0.156 0.000 2.746 126 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 126 T C 1.803 176.354 174.700 -0.248 0.000 1.039 126 T CA 1.483 63.470 62.100 -0.187 0.000 1.142 126 T CB -0.714 68.120 68.868 -0.058 0.000 0.866 126 T HN 0.330 nan 8.240 nan 0.000 0.444 127 L N 1.276 122.337 121.223 -0.269 0.000 1.989 127 L HA -0.010 4.330 4.340 -0.000 0.000 0.211 127 L C 2.168 178.863 176.870 -0.292 0.000 1.071 127 L CA 1.698 56.375 54.840 -0.272 0.000 0.749 127 L CB -0.904 40.957 42.059 -0.330 0.000 0.890 127 L HN 0.251 nan 8.230 nan 0.000 0.431 128 L N -0.918 120.071 121.223 -0.390 0.000 2.127 128 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 128 L C 2.660 179.314 176.870 -0.359 0.000 1.089 128 L CA 0.934 55.536 54.840 -0.397 0.000 0.757 128 L CB -0.531 41.213 42.059 -0.525 0.000 0.899 128 L HN 0.254 nan 8.230 nan 0.000 0.434 129 R N 0.199 120.428 120.500 -0.451 0.000 2.148 129 R HA -0.051 4.289 4.340 -0.000 0.000 0.227 129 R C 1.890 178.080 176.300 -0.183 0.000 1.103 129 R CA 1.020 56.868 56.100 -0.419 0.000 0.983 129 R CB -0.278 29.659 30.300 -0.606 0.000 0.874 129 R HN 0.409 nan 8.270 nan 0.000 0.451 130 N N -0.941 117.671 118.700 -0.146 0.000 2.432 130 N HA -0.033 4.707 4.740 -0.000 0.000 0.174 130 N C -0.322 175.138 175.510 -0.085 0.000 1.037 130 N CA 0.341 53.350 53.050 -0.069 0.000 0.892 130 N CB 0.490 38.941 38.487 -0.060 0.000 1.049 130 N HN 0.017 nan 8.380 nan 0.000 0.442 131 Q N 0.741 120.468 119.800 -0.121 0.000 2.650 131 Q HA 0.261 4.601 4.340 -0.000 0.000 0.239 131 Q C -2.347 173.581 176.000 -0.120 0.000 0.893 131 Q CA -1.584 54.158 55.803 -0.100 0.000 0.755 131 Q CB 1.891 30.575 28.738 -0.090 0.000 1.349 131 Q HN -0.073 nan 8.270 nan 0.000 0.461 132 P HA -0.137 nan 4.420 nan 0.000 0.221 132 P C -0.645 176.634 177.300 -0.034 0.000 1.145 132 P CA 1.041 64.089 63.100 -0.087 0.000 0.795 132 P CB 0.501 32.171 31.700 -0.050 0.000 0.775 133 E N 0.859 121.050 120.200 -0.015 0.000 3.037 133 E HA 0.258 4.608 4.350 -0.000 0.000 0.220 133 E C -2.380 174.230 176.600 0.016 0.000 1.142 133 E CA -2.014 54.404 56.400 0.030 0.000 0.888 133 E CB 1.245 30.968 29.700 0.039 0.000 1.329 133 E HN 0.349 nan 8.360 nan 0.000 0.409 134 P HA 0.029 nan 4.420 nan 0.000 0.276 134 P C 0.096 177.418 177.300 0.036 0.000 1.252 134 P CA -0.241 62.855 63.100 -0.005 0.000 0.802 134 P CB 1.103 32.774 31.700 -0.050 0.000 1.035 135 T N -2.459 112.109 114.554 0.023 0.000 2.874 135 T HA 0.178 4.528 4.350 -0.000 0.000 0.281 135 T C 1.504 176.243 174.700 0.064 0.000 0.994 135 T CA -0.686 61.441 62.100 0.046 0.000 1.015 135 T CB 0.104 68.990 68.868 0.030 0.000 1.028 135 T HN 0.090 nan 8.240 nan 0.000 0.523 136 V N 0.965 120.933 119.914 0.089 0.000 2.469 136 V HA -0.142 3.978 4.120 -0.000 0.000 0.251 136 V C 2.768 178.921 176.094 0.098 0.000 1.064 136 V CA 2.332 64.703 62.300 0.119 0.000 1.066 136 V CB -1.111 30.790 31.823 0.130 0.000 0.667 136 V HN 1.076 nan 8.190 nan 0.000 0.461 137 E N 0.250 120.490 120.200 0.066 0.000 2.106 137 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 137 E C 2.149 178.752 176.600 0.005 0.000 0.984 137 E CA 1.356 57.784 56.400 0.047 0.000 0.806 137 E CB -0.057 29.663 29.700 0.034 0.000 0.750 137 E HN 0.727 nan 8.360 nan 0.000 0.458 138 E N 0.429 120.618 120.200 -0.018 0.000 2.106 138 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 138 E C 2.221 178.745 176.600 -0.126 0.000 0.984 138 E CA 1.079 57.433 56.400 -0.076 0.000 0.806 138 E CB -0.066 29.589 29.700 -0.075 0.000 0.750 138 E HN 0.401 nan 8.360 nan 0.000 0.458 139 I N 1.215 121.748 120.570 -0.060 0.000 2.226 139 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 139 I C 2.685 178.743 176.117 -0.097 0.000 1.100 139 I CA 1.280 62.539 61.300 -0.068 0.000 1.374 139 I CB -0.254 37.833 38.000 0.145 0.000 1.057 139 I HN 0.158 nan 8.210 nan 0.000 0.413 140 E N 1.066 121.291 120.200 0.042 0.000 2.072 140 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 140 E C 1.585 178.148 176.600 -0.062 0.000 0.985 140 E CA 1.418 57.878 56.400 0.100 0.000 0.801 140 E CB 0.094 29.890 29.700 0.161 0.000 0.750 140 E HN 0.366 nan 8.360 nan 0.000 0.452 141 D N 0.173 120.510 120.400 -0.105 0.000 2.263 141 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 141 D C 1.601 177.748 176.300 -0.255 0.000 0.971 141 D CA 0.992 54.910 54.000 -0.137 0.000 0.867 141 D CB -0.169 40.559 40.800 -0.120 0.000 0.929 141 D HN 0.288 nan 8.370 nan 0.000 0.492 142 A N -0.324 122.208 122.820 -0.480 0.000 2.121 142 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 142 A C 1.208 178.360 177.584 -0.720 0.000 1.154 142 A CA 0.586 52.218 52.037 -0.673 0.000 0.679 142 A CB -0.593 17.822 19.000 -0.976 0.000 0.795 142 A HN 0.235 nan 8.150 nan 0.000 0.458 143 F N -0.650 119.145 119.950 -0.259 0.000 2.772 143 F HA 0.174 4.701 4.527 -0.000 0.000 0.302 143 F C 1.711 177.413 175.800 -0.163 0.000 1.136 143 F CA -0.374 57.412 58.000 -0.357 0.000 1.322 143 F CB 0.115 38.443 39.000 -1.120 0.000 0.967 143 F HN 0.172 nan 8.300 nan 0.000 0.513 144 Q N 0.684 120.504 119.800 0.034 0.000 2.234 144 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 144 Q C 1.975 178.056 176.000 0.135 0.000 0.980 144 Q CA 1.338 57.194 55.803 0.088 0.000 0.869 144 Q CB -0.175 28.597 28.738 0.056 0.000 0.912 144 Q HN 0.540 nan 8.270 nan 0.000 0.436 145 G N 0.239 109.124 108.800 0.142 0.000 3.805 145 G HA2 0.120 4.080 3.960 -0.000 0.000 0.290 145 G HA3 0.120 4.080 3.960 -0.000 0.000 0.290 145 G C -0.290 174.743 174.900 0.222 0.000 1.077 145 G CA -0.366 44.834 45.100 0.167 0.000 0.852 145 G HN 0.039 nan 8.290 nan 0.000 0.531 146 N N 0.541 119.422 118.700 0.301 0.000 2.296 146 N HA 0.509 5.249 4.740 -0.000 0.000 0.294 146 N C -1.179 174.635 175.510 0.507 0.000 1.033 146 N CA -0.320 52.963 53.050 0.389 0.000 0.839 146 N CB 2.678 41.432 38.487 0.445 0.000 1.395 146 N HN -0.014 nan 8.380 nan 0.000 0.479 147 L N 0.938 122.413 121.223 0.421 0.000 2.346 147 L HA 0.620 4.960 4.340 -0.000 0.000 0.274 147 L C -0.406 176.664 176.870 0.333 0.000 1.007 147 L CA -0.854 54.236 54.840 0.416 0.000 0.818 147 L CB 2.234 44.468 42.059 0.291 0.000 1.284 147 L HN 0.480 nan 8.230 nan 0.000 0.424 148 C N 2.112 121.517 119.300 0.174 0.000 2.535 148 C HA 0.532 4.991 4.460 -0.000 0.000 0.319 148 C C 0.798 175.659 174.990 -0.216 0.000 1.171 148 C CA -0.516 58.441 59.018 -0.101 0.000 1.394 148 C CB 1.765 29.268 27.740 -0.394 0.000 1.990 148 C HN 0.984 nan 8.230 nan 0.000 0.466 149 R N 2.497 122.987 120.500 -0.017 0.000 2.308 149 R HA 0.298 4.638 4.340 -0.000 0.000 0.202 149 R C 1.309 177.607 176.300 -0.004 0.000 0.898 149 R CA 1.367 57.452 56.100 -0.026 0.000 1.046 149 R CB -0.648 29.715 30.300 0.105 0.000 1.026 149 R HN 0.868 nan 8.270 nan 0.000 0.512 150 C N -1.256 118.094 119.300 0.082 0.000 2.568 150 C HA 0.111 4.571 4.460 -0.000 0.000 0.284 150 C C 2.436 177.439 174.990 0.021 0.000 1.338 150 C CA 0.937 60.054 59.018 0.165 0.000 1.724 150 C CB -0.293 27.555 27.740 0.180 0.000 2.131 150 C HN 0.647 nan 8.230 nan 0.000 0.513 151 T N -1.486 113.005 114.554 -0.106 0.000 2.951 151 T HA 0.206 4.556 4.350 -0.000 0.000 0.268 151 T C 1.631 176.264 174.700 -0.111 0.000 1.073 151 T CA 1.745 63.775 62.100 -0.117 0.000 1.134 151 T CB -0.492 68.282 68.868 -0.157 0.000 0.884 151 T HN 1.099 nan 8.240 nan 0.000 0.479 152 G N 0.407 109.070 108.800 -0.229 0.000 2.159 152 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.256 152 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.256 152 G C 0.617 175.566 174.900 0.081 0.000 0.977 152 G CA 0.414 45.511 45.100 -0.004 0.000 0.652 152 G HN 0.664 nan 8.290 nan 0.000 0.531 153 Y N -2.314 117.915 120.300 -0.118 0.000 3.666 153 Y HA -0.404 4.146 4.550 -0.000 0.000 0.412 153 Y C 2.345 178.227 175.900 -0.030 0.000 1.125 153 Y CA 2.603 60.542 58.100 -0.270 0.000 2.428 153 Y CB -1.384 36.780 38.460 -0.494 0.000 0.885 153 Y HN 0.490 nan 8.280 nan 0.000 0.504 154 R N 1.254 121.902 120.500 0.247 0.000 2.112 154 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 154 R C -0.898 175.500 176.300 0.164 0.000 1.137 154 R CA 2.631 58.877 56.100 0.243 0.000 0.944 154 R CB -1.383 29.044 30.300 0.213 0.000 0.857 154 R HN 0.400 nan 8.270 nan 0.000 0.435 155 P HA -0.137 nan 4.420 nan 0.000 0.218 155 P C 1.701 178.977 177.300 -0.041 0.000 1.149 155 P CA 1.327 64.465 63.100 0.063 0.000 0.817 155 P CB -0.186 31.541 31.700 0.044 0.000 0.785 156 I N -0.454 120.079 120.570 -0.060 0.000 2.142 156 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 156 I C 2.738 178.798 176.117 -0.095 0.000 1.078 156 I CA 1.319 62.485 61.300 -0.224 0.000 1.343 156 I CB -0.710 37.268 38.000 -0.037 0.000 1.046 156 I HN -0.157 nan 8.210 nan 0.000 0.405 157 L N 0.021 121.389 121.223 0.241 0.000 2.083 157 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 157 L C 2.672 179.730 176.870 0.313 0.000 1.083 157 L CA 1.422 56.494 54.840 0.387 0.000 0.752 157 L CB -0.567 41.751 42.059 0.432 0.000 0.899 157 L HN 0.361 nan 8.230 nan 0.000 0.433 158 Q N 0.044 119.991 119.800 0.245 0.000 2.079 158 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 158 Q C 2.178 178.356 176.000 0.297 0.000 0.974 158 Q CA 1.726 57.700 55.803 0.284 0.000 0.840 158 Q CB -0.214 28.708 28.738 0.306 0.000 0.898 158 Q HN 0.452 nan 8.270 nan 0.000 0.430 159 G N -0.278 108.574 108.800 0.087 0.000 2.418 159 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.217 159 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.217 159 G C 0.906 175.882 174.900 0.126 0.000 1.158 159 G CA 0.563 45.596 45.100 -0.111 0.000 0.771 159 G HN 0.348 nan 8.290 nan 0.000 0.545 160 F N 0.585 120.646 119.950 0.185 0.000 2.558 160 F HA 0.213 4.740 4.527 -0.000 0.000 0.298 160 F C 2.476 178.476 175.800 0.333 0.000 1.119 160 F CA 0.007 58.205 58.000 0.329 0.000 1.451 160 F CB -0.403 38.857 39.000 0.434 0.000 1.091 160 F HN 0.086 nan 8.300 nan 0.000 0.563 161 R N 0.542 121.310 120.500 0.446 0.000 2.200 161 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 161 R C 1.928 178.395 176.300 0.278 0.000 1.127 161 R CA 1.695 57.999 56.100 0.340 0.000 0.989 161 R CB -0.360 30.114 30.300 0.290 0.000 0.869 161 R HN 0.357 nan 8.270 nan 0.000 0.459 162 T N -2.698 112.002 114.554 0.243 0.000 3.098 162 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 162 T C 1.359 176.096 174.700 0.062 0.000 1.145 162 T CA 0.692 62.881 62.100 0.148 0.000 1.092 162 T CB -0.266 68.718 68.868 0.193 0.000 0.908 162 T HN 0.210 nan 8.240 nan 0.000 0.526 163 F N 1.677 121.749 119.950 0.204 0.000 2.664 163 F HA 0.488 5.014 4.527 -0.000 0.000 0.296 163 F C 1.998 177.856 175.800 0.097 0.000 1.125 163 F CA -0.310 57.768 58.000 0.131 0.000 1.444 163 F CB -0.143 38.910 39.000 0.089 0.000 1.114 163 F HN 0.273 nan 8.300 nan 0.000 0.576 164 A N 0.548 123.533 122.820 0.275 0.000 2.262 164 A HA 0.545 4.865 4.320 -0.000 0.000 0.273 164 A C 0.282 177.948 177.584 0.137 0.000 1.202 164 A CA -0.063 52.082 52.037 0.180 0.000 0.811 164 A CB 0.335 19.431 19.000 0.160 0.000 1.159 164 A HN 0.326 nan 8.150 nan 0.000 0.505 193 P HA 0.419 nan 4.420 nan 0.000 0.269 193 P C -0.518 176.613 177.300 -0.282 0.000 1.217 193 P CA -0.128 62.748 63.100 -0.374 0.000 0.783 193 P CB 0.577 32.011 31.700 -0.445 0.000 0.898 194 S N 0.541 116.279 115.700 0.063 0.000 2.532 194 S HA 0.290 4.760 4.470 -0.000 0.000 0.301 194 S C 1.465 176.263 174.600 0.330 0.000 1.083 194 S CA -0.767 57.529 58.200 0.160 0.000 1.025 194 S CB 1.395 64.544 63.200 -0.085 0.000 1.056 194 S HN 0.374 nan 8.310 nan 0.000 0.494 195 L N 1.164 122.540 121.223 0.254 0.000 2.201 195 L HA 0.084 4.424 4.340 -0.000 0.000 0.212 195 L C 0.169 177.306 176.870 0.446 0.000 1.105 195 L CA 1.216 56.199 54.840 0.239 0.000 0.775 195 L CB -0.265 41.933 42.059 0.231 0.000 0.913 195 L HN 0.700 nan 8.230 nan 0.000 0.440 196 F N -3.513 116.535 119.950 0.163 0.000 2.686 196 F HA 0.505 5.032 4.527 -0.000 0.000 0.311 196 F C -0.865 174.903 175.800 -0.053 0.000 1.128 196 F CA -1.517 56.521 58.000 0.063 0.000 0.946 196 F CB 0.988 40.016 39.000 0.046 0.000 1.336 196 F HN -0.364 nan 8.300 nan 0.000 0.457 197 N N 1.966 120.686 118.700 0.033 0.000 2.564 197 N HA 0.469 5.209 4.740 -0.000 0.000 0.248 197 N C -2.345 172.860 175.510 -0.509 0.000 0.986 197 N CA -2.704 50.226 53.050 -0.201 0.000 0.921 197 N CB 1.775 40.190 38.487 -0.120 0.000 1.136 197 N HN 0.296 nan 8.380 nan 0.000 0.509 198 P HA -0.096 nan 4.420 nan 0.000 0.219 198 P C 0.574 177.557 177.300 -0.529 0.000 1.146 198 P CA 1.151 63.780 63.100 -0.785 0.000 0.808 198 P CB 0.459 32.033 31.700 -0.210 0.000 0.779 199 E N -0.185 119.839 120.200 -0.293 0.000 2.265 199 E HA -0.200 4.149 4.350 -0.000 0.000 0.196 199 E C 1.667 178.213 176.600 -0.089 0.000 0.996 199 E CA 0.952 57.269 56.400 -0.138 0.000 0.832 199 E CB -0.233 29.412 29.700 -0.092 0.000 0.756 199 E HN 0.593 nan 8.360 nan 0.000 0.491 200 E N 0.138 120.258 120.200 -0.133 0.000 2.478 200 E HA -0.007 4.342 4.350 -0.000 0.000 0.194 200 E C 0.043 176.754 176.600 0.184 0.000 1.045 200 E CA -0.173 56.236 56.400 0.014 0.000 0.868 200 E CB -0.094 29.625 29.700 0.032 0.000 0.885 200 E HN 0.129 nan 8.360 nan 0.000 0.505 201 F N 2.046 122.009 119.950 0.022 0.000 2.495 201 F HA 0.119 4.646 4.527 -0.000 0.000 0.365 201 F C 0.833 176.630 175.800 -0.004 0.000 1.090 201 F CA -1.055 56.943 58.000 -0.003 0.000 1.235 201 F CB 0.673 39.649 39.000 -0.041 0.000 1.119 201 F HN 0.040 nan 8.300 nan 0.000 0.562 202 M N 6.519 126.228 119.600 0.181 0.000 2.188 202 M HA 0.262 4.742 4.480 -0.000 0.000 0.354 202 M C -2.404 173.948 176.300 0.086 0.000 1.342 202 M CA -1.463 53.896 55.300 0.098 0.000 1.117 202 M CB 0.700 33.332 32.600 0.052 0.000 1.670 202 M HN 0.186 nan 8.290 nan 0.000 0.466 203 P HA 0.100 nan 4.420 nan 0.000 0.270 203 P C -1.239 176.116 177.300 0.092 0.000 1.223 203 P CA -0.512 62.645 63.100 0.096 0.000 0.785 203 P CB 0.464 32.211 31.700 0.078 0.000 0.923 204 L N 2.347 123.655 121.223 0.141 0.000 2.331 204 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 204 L C -0.126 176.775 176.870 0.053 0.000 1.106 204 L CA 0.478 55.378 54.840 0.101 0.000 0.824 204 L CB 0.055 42.207 42.059 0.155 0.000 1.142 204 L HN 0.217 nan 8.230 nan 0.000 0.443 205 D N 6.104 126.517 120.400 0.022 0.000 2.420 205 D HA 0.363 5.003 4.640 -0.000 0.000 0.255 205 D C -1.975 174.340 176.300 0.024 0.000 1.185 205 D CA -1.906 52.108 54.000 0.024 0.000 0.904 205 D CB 1.792 42.605 40.800 0.021 0.000 1.102 205 D HN 0.267 nan 8.370 nan 0.000 0.534 206 P HA -0.175 nan 4.420 nan 0.000 0.217 206 P C 1.408 178.723 177.300 0.026 0.000 1.151 206 P CA 1.661 64.770 63.100 0.014 0.000 0.849 206 P CB 0.139 31.840 31.700 0.001 0.000 0.787 207 T N -3.384 111.185 114.554 0.026 0.000 2.881 207 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 207 T C 1.536 176.257 174.700 0.036 0.000 1.068 207 T CA 1.098 63.215 62.100 0.028 0.000 1.131 207 T CB -0.875 68.007 68.868 0.024 0.000 0.871 207 T HN 0.248 nan 8.240 nan 0.000 0.479 208 Q N 0.454 120.277 119.800 0.039 0.000 2.247 208 Q HA 0.297 4.637 4.340 -0.000 0.000 0.205 208 Q C -0.125 175.919 176.000 0.073 0.000 0.896 208 Q CA -0.196 55.635 55.803 0.047 0.000 0.950 208 Q CB 0.314 29.074 28.738 0.036 0.000 1.054 208 Q HN 0.483 nan 8.270 nan 0.000 0.482 209 E N 1.567 121.816 120.200 0.081 0.000 2.277 209 E HA 0.211 4.561 4.350 -0.000 0.000 0.274 209 E C -2.376 174.285 176.600 0.101 0.000 1.022 209 E CA -2.350 54.121 56.400 0.118 0.000 0.853 209 E CB 0.718 30.478 29.700 0.099 0.000 1.086 209 E HN -0.103 nan 8.360 nan 0.000 0.397 210 P HA -0.042 nan 4.420 nan 0.000 0.260 210 P C -0.386 176.972 177.300 0.097 0.000 1.172 210 P CA 0.373 63.526 63.100 0.088 0.000 0.760 210 P CB 0.213 31.963 31.700 0.083 0.000 0.773 211 I N 3.755 124.373 120.570 0.080 0.000 2.638 211 I HA 0.163 4.333 4.170 -0.000 0.000 0.286 211 I C 0.222 176.413 176.117 0.124 0.000 1.088 211 I CA -0.720 60.640 61.300 0.101 0.000 1.397 211 I CB 0.322 38.361 38.000 0.064 0.000 1.414 211 I HN 0.140 nan 8.210 nan 0.000 0.566 212 F N 8.987 128.944 119.950 0.012 0.000 2.572 212 F HA 0.280 4.807 4.527 -0.000 0.000 0.370 212 F C -1.918 173.815 175.800 -0.112 0.000 1.103 212 F CA -1.959 56.028 58.000 -0.021 0.000 1.286 212 F CB -0.079 38.920 39.000 -0.001 0.000 1.105 212 F HN 0.328 nan 8.300 nan 0.000 0.583 213 P HA -0.034 nan 4.420 nan 0.000 0.256 213 P C -2.169 174.774 177.300 -0.596 0.000 1.173 213 P CA -0.397 62.228 63.100 -0.792 0.000 0.768 213 P CB 0.285 31.080 31.700 -1.509 0.000 0.758 214 P HA -0.215 nan 4.420 nan 0.000 0.215 214 P C 1.414 178.594 177.300 -0.200 0.000 1.153 214 P CA 1.266 64.266 63.100 -0.166 0.000 0.853 214 P CB 0.054 31.700 31.700 -0.091 0.000 0.788 215 E N -0.185 119.870 120.200 -0.241 0.000 2.085 215 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 215 E C 1.847 178.282 176.600 -0.275 0.000 0.994 215 E CA 1.002 57.298 56.400 -0.173 0.000 0.801 215 E CB -0.675 29.036 29.700 0.017 0.000 0.743 215 E HN 0.142 nan 8.360 nan 0.000 0.453 216 L N 0.264 121.176 121.223 -0.517 0.000 2.141 216 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 216 L C 2.505 179.264 176.870 -0.185 0.000 1.094 216 L CA 0.264 54.836 54.840 -0.447 0.000 0.763 216 L CB -0.258 41.384 42.059 -0.696 0.000 0.908 216 L HN 0.277 nan 8.230 nan 0.000 0.437 217 L N -0.103 121.048 121.223 -0.120 0.000 2.141 217 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 217 L C 2.673 179.452 176.870 -0.151 0.000 1.094 217 L CA 1.598 56.405 54.840 -0.056 0.000 0.763 217 L CB -0.395 41.665 42.059 0.002 0.000 0.908 217 L HN 0.104 nan 8.230 nan 0.000 0.437 218 R N -1.162 119.255 120.500 -0.139 0.000 2.073 218 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 218 R C 2.153 178.378 176.300 -0.126 0.000 1.120 218 R CA 1.231 57.259 56.100 -0.120 0.000 0.967 218 R CB -0.433 29.813 30.300 -0.090 0.000 0.862 218 R HN 0.320 nan 8.270 nan 0.000 0.436 219 L N 1.815 122.947 121.223 -0.152 0.000 2.191 219 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 219 L C 2.460 179.273 176.870 -0.096 0.000 1.103 219 L CA 1.283 56.041 54.840 -0.137 0.000 0.769 219 L CB -0.631 41.234 42.059 -0.323 0.000 0.908 219 L HN 0.243 nan 8.230 nan 0.000 0.438 220 K N -0.020 120.289 120.400 -0.150 0.000 2.173 220 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 220 K C 1.223 177.744 176.600 -0.132 0.000 1.046 220 K CA 1.958 58.139 56.287 -0.177 0.000 0.929 220 K CB -0.413 31.745 32.500 -0.570 0.000 0.720 220 K HN 0.327 nan 8.250 nan 0.000 0.453 221 D N 1.503 121.824 120.400 -0.132 0.000 2.084 221 D HA -0.067 4.572 4.640 -0.000 0.000 0.196 221 D C 0.668 176.948 176.300 -0.033 0.000 0.985 221 D CA 0.856 54.808 54.000 -0.080 0.000 0.826 221 D CB -0.359 40.395 40.800 -0.077 0.000 0.978 221 D HN 0.050 nan 8.370 nan 0.000 0.456 222 V N 3.654 123.557 119.914 -0.018 0.000 2.584 222 V HA -0.013 4.107 4.120 -0.000 0.000 0.303 222 V C -1.979 174.122 176.094 0.012 0.000 1.035 222 V CA -0.689 61.617 62.300 0.010 0.000 1.172 222 V CB -0.049 31.797 31.823 0.038 0.000 0.896 222 V HN 0.013 nan 8.190 nan 0.000 0.486 223 P HA 0.206 nan 4.420 nan 0.000 0.271 223 P C -2.176 175.123 177.300 -0.001 0.000 1.220 223 P CA -0.859 62.242 63.100 0.002 0.000 0.768 223 P CB -0.064 31.643 31.700 0.012 0.000 0.848 224 P HA 0.120 nan 4.420 nan 0.000 0.271 224 P C -0.802 176.535 177.300 0.061 0.000 1.218 224 P CA -0.058 62.996 63.100 -0.078 0.000 0.780 224 P CB 0.885 32.398 31.700 -0.312 0.000 0.901 225 K N 1.033 121.507 120.400 0.124 0.000 2.395 225 K HA 0.343 4.663 4.320 -0.000 0.000 0.247 225 K C -0.347 176.367 176.600 0.190 0.000 0.973 225 K CA -1.114 55.254 56.287 0.134 0.000 0.828 225 K CB 1.622 34.171 32.500 0.081 0.000 1.272 225 K HN 0.392 nan 8.250 nan 0.000 0.439 226 Q N 2.199 122.067 119.800 0.115 0.000 2.315 226 Q HA 0.090 4.430 4.340 -0.000 0.000 0.289 226 Q C -1.183 174.798 176.000 -0.031 0.000 1.044 226 Q CA 0.175 56.009 55.803 0.051 0.000 0.920 226 Q CB 0.444 29.187 28.738 0.008 0.000 1.214 226 Q HN 0.540 nan 8.270 nan 0.000 0.392 227 L N 3.756 124.895 121.223 -0.140 0.000 2.370 227 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 227 L C -0.376 176.201 176.870 -0.489 0.000 1.002 227 L CA -0.906 53.725 54.840 -0.348 0.000 0.818 227 L CB 2.173 43.937 42.059 -0.492 0.000 1.325 227 L HN 0.647 nan 8.230 nan 0.000 0.418 228 R N 1.735 121.890 120.500 -0.575 0.000 2.621 228 R HA 0.646 4.986 4.340 -0.000 0.000 0.292 228 R C -1.967 174.003 176.300 -0.551 0.000 0.969 228 R CA -0.431 55.414 56.100 -0.425 0.000 0.887 228 R CB 1.564 31.757 30.300 -0.178 0.000 1.180 228 R HN 0.464 nan 8.270 nan 0.000 0.450 229 F N 2.108 122.100 119.950 0.070 0.000 2.529 229 F HA 0.362 4.889 4.527 -0.000 0.000 0.320 229 F C -0.134 175.697 175.800 0.053 0.000 1.118 229 F CA -0.852 57.160 58.000 0.020 0.000 0.915 229 F CB 2.416 41.369 39.000 -0.078 0.000 1.161 229 F HN 0.330 nan 8.300 nan 0.000 0.445 230 E N 1.898 122.227 120.200 0.216 0.000 2.145 230 E HA 0.511 4.861 4.350 -0.000 0.000 0.270 230 E C -0.049 176.621 176.600 0.115 0.000 0.906 230 E CA -0.609 55.874 56.400 0.137 0.000 0.761 230 E CB 2.134 31.889 29.700 0.092 0.000 1.116 230 E HN 0.784 nan 8.360 nan 0.000 0.408 231 G N 1.328 110.192 108.800 0.106 0.000 2.938 231 G HA2 0.052 4.012 3.960 -0.000 0.000 0.258 231 G HA3 0.052 4.012 3.960 -0.000 0.000 0.258 231 G C 0.525 175.470 174.900 0.074 0.000 1.356 231 G CA -0.369 44.779 45.100 0.081 0.000 1.052 231 G HN 0.602 nan 8.290 nan 0.000 0.550 232 E N -0.742 119.502 120.200 0.072 0.000 2.085 232 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 232 E C 1.981 178.621 176.600 0.066 0.000 0.994 232 E CA 1.078 57.524 56.400 0.076 0.000 0.801 232 E CB 0.050 29.811 29.700 0.101 0.000 0.743 232 E HN 0.470 nan 8.360 nan 0.000 0.453 233 R N -1.057 119.484 120.500 0.068 0.000 2.517 233 R HA 0.241 4.581 4.340 -0.000 0.000 0.265 233 R C -0.465 175.877 176.300 0.069 0.000 0.921 233 R CA -0.134 56.001 56.100 0.059 0.000 1.054 233 R CB 1.863 32.193 30.300 0.050 0.000 1.340 233 R HN -0.096 nan 8.270 nan 0.000 0.551 234 V N 1.226 121.195 119.914 0.092 0.000 2.680 234 V HA 0.378 4.498 4.120 -0.000 0.000 0.309 234 V C -0.207 175.972 176.094 0.141 0.000 1.052 234 V CA -0.658 61.716 62.300 0.122 0.000 0.908 234 V CB 2.185 34.108 31.823 0.167 0.000 1.001 234 V HN 0.000 nan 8.190 nan 0.000 0.431 235 T N 4.383 119.013 114.554 0.128 0.000 2.794 235 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 235 T C -1.124 173.693 174.700 0.195 0.000 0.987 235 T CA -0.241 61.936 62.100 0.128 0.000 0.993 235 T CB 1.002 69.891 68.868 0.034 0.000 0.939 235 T HN 0.684 nan 8.240 nan 0.000 0.449 236 W N 5.603 126.918 121.300 0.026 0.000 2.538 236 W HA 0.604 5.263 4.660 -0.000 0.000 0.322 236 W C -2.100 174.369 176.519 -0.084 0.000 1.028 236 W CA -1.528 55.829 57.345 0.019 0.000 1.228 236 W CB 0.593 30.136 29.460 0.139 0.000 1.356 236 W HN 0.514 nan 8.180 nan 0.000 0.452 237 I N 5.334 125.846 120.570 -0.097 0.000 2.362 237 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 237 I C -0.045 175.937 176.117 -0.225 0.000 0.994 237 I CA -0.756 60.468 61.300 -0.127 0.000 1.158 237 I CB 1.933 39.841 38.000 -0.152 0.000 1.315 237 I HN 0.253 nan 8.210 nan 0.000 0.451 238 Q N 5.626 125.344 119.800 -0.138 0.000 2.441 238 Q HA 0.467 4.807 4.340 -0.000 0.000 0.234 238 Q C -0.336 175.513 176.000 -0.252 0.000 1.078 238 Q CA -0.336 55.306 55.803 -0.267 0.000 0.907 238 Q CB 1.078 29.559 28.738 -0.427 0.000 1.269 238 Q HN 0.725 nan 8.270 nan 0.000 0.502 239 A N 2.763 125.462 122.820 -0.202 0.000 2.454 239 A HA 0.301 4.621 4.320 -0.000 0.000 0.260 239 A C 0.962 178.578 177.584 0.053 0.000 1.106 239 A CA 0.362 52.355 52.037 -0.073 0.000 0.780 239 A CB 0.256 19.209 19.000 -0.078 0.000 1.044 239 A HN 0.931 nan 8.150 nan 0.000 0.498 240 S N 1.372 117.163 115.700 0.153 0.000 2.486 240 S HA 0.140 4.610 4.470 -0.000 0.000 0.220 240 S C 0.800 175.507 174.600 0.178 0.000 1.011 240 S CA 0.821 59.195 58.200 0.290 0.000 0.921 240 S CB -0.340 63.033 63.200 0.287 0.000 0.785 240 S HN 1.370 nan 8.310 nan 0.000 0.517 241 T N -1.469 113.145 114.554 0.100 0.000 2.906 241 T HA 0.623 4.973 4.350 -0.000 0.000 0.295 241 T C 0.523 175.244 174.700 0.036 0.000 1.075 241 T CA -0.719 61.420 62.100 0.065 0.000 1.005 241 T CB 1.368 70.265 68.868 0.048 0.000 1.136 241 T HN -0.015 nan 8.240 nan 0.000 0.498 242 L N 0.974 122.211 121.223 0.024 0.000 1.989 242 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 242 L C 1.257 178.127 176.870 -0.000 0.000 1.071 242 L CA 1.851 56.694 54.840 0.006 0.000 0.749 242 L CB -0.765 41.294 42.059 -0.000 0.000 0.890 242 L HN 0.869 nan 8.230 nan 0.000 0.431 243 K N 0.164 120.566 120.400 0.002 0.000 2.379 243 K HA 0.065 4.385 4.320 -0.000 0.000 0.284 243 K C 0.384 176.986 176.600 0.003 0.000 1.044 243 K CA 0.777 57.063 56.287 -0.001 0.000 0.974 243 K CB 0.494 32.994 32.500 0.000 0.000 0.962 243 K HN 0.480 nan 8.250 nan 0.000 0.474 244 E N 1.738 121.936 120.200 -0.003 0.000 3.408 244 E HA -0.223 4.127 4.350 -0.000 0.000 0.128 244 E C 0.948 177.540 176.600 -0.013 0.000 0.681 244 E CA 0.623 57.022 56.400 -0.002 0.000 3.040 244 E CB -1.012 28.693 29.700 0.008 0.000 1.212 244 E HN 0.511 nan 8.360 nan 0.000 0.760 245 L N 2.413 123.625 121.223 -0.019 0.000 2.046 245 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 245 L C 2.083 178.934 176.870 -0.031 0.000 1.077 245 L CA 1.963 56.781 54.840 -0.036 0.000 0.747 245 L CB -0.396 41.639 42.059 -0.039 0.000 0.896 245 L HN 0.390 nan 8.230 nan 0.000 0.432 246 L N -0.777 120.432 121.223 -0.024 0.000 2.093 246 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 246 L C 2.197 179.052 176.870 -0.024 0.000 1.085 246 L CA 1.078 55.903 54.840 -0.025 0.000 0.755 246 L CB -0.866 41.180 42.059 -0.022 0.000 0.904 246 L HN 0.288 nan 8.230 nan 0.000 0.435 247 D N 0.320 120.708 120.400 -0.020 0.000 2.123 247 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 247 D C 2.444 178.732 176.300 -0.020 0.000 0.976 247 D CA 1.005 54.992 54.000 -0.021 0.000 0.831 247 D CB -0.148 40.644 40.800 -0.015 0.000 0.974 247 D HN 0.215 nan 8.370 nan 0.000 0.469 248 L N 0.716 121.938 121.223 -0.002 0.000 2.042 248 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 248 L C 2.367 179.255 176.870 0.030 0.000 1.076 248 L CA 1.064 55.927 54.840 0.037 0.000 0.749 248 L CB -0.284 41.787 42.059 0.020 0.000 0.893 248 L HN -0.069 nan 8.230 nan 0.000 0.432 249 K N -0.040 120.356 120.400 -0.007 0.000 2.147 249 K HA -0.083 4.236 4.320 -0.000 0.000 0.205 249 K C 2.134 178.717 176.600 -0.029 0.000 1.049 249 K CA 1.396 57.675 56.287 -0.014 0.000 0.936 249 K CB -0.340 32.143 32.500 -0.029 0.000 0.722 249 K HN 0.309 nan 8.250 nan 0.000 0.446 250 A N 1.287 124.081 122.820 -0.044 0.000 1.897 250 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 250 A C 2.103 179.622 177.584 -0.109 0.000 1.181 250 A CA 1.127 53.127 52.037 -0.061 0.000 0.620 250 A CB -0.303 18.665 19.000 -0.054 0.000 0.821 250 A HN 0.361 nan 8.150 nan 0.000 0.443 251 Q N -1.048 118.654 119.800 -0.164 0.000 2.172 251 Q HA -0.032 4.307 4.340 -0.000 0.000 0.200 251 Q C -0.152 175.470 176.000 -0.629 0.000 0.964 251 Q CA 0.890 56.470 55.803 -0.372 0.000 0.855 251 Q CB 0.108 28.602 28.738 -0.406 0.000 0.918 251 Q HN 0.725 nan 8.270 nan 0.000 0.444 252 H N -1.150 117.905 119.070 -0.025 0.000 2.488 252 H HA 0.195 4.750 4.556 -0.000 0.000 0.237 252 H C -2.105 173.206 175.328 -0.029 0.000 1.395 252 H CA -1.907 54.127 56.048 -0.023 0.000 1.491 252 H CB 1.284 31.030 29.762 -0.027 0.000 1.567 252 H HN 0.046 nan 8.280 nan 0.000 0.508 253 P HA -0.176 nan 4.420 nan 0.000 0.218 253 P C 1.712 179.024 177.300 0.021 0.000 1.148 253 P CA 1.125 64.233 63.100 0.013 0.000 0.822 253 P CB 0.499 32.198 31.700 -0.003 0.000 0.784 254 E N 0.132 120.360 120.200 0.048 0.000 2.358 254 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 254 E C 0.688 177.307 176.600 0.031 0.000 1.010 254 E CA 0.254 56.682 56.400 0.047 0.000 0.856 254 E CB -1.164 28.578 29.700 0.070 0.000 0.795 254 E HN 0.025 nan 8.360 nan 0.000 0.504 255 A N 2.284 125.119 122.820 0.025 0.000 2.566 255 A HA 0.010 4.330 4.320 -0.000 0.000 0.245 255 A C 0.280 177.806 177.584 -0.098 0.000 1.056 255 A CA 0.136 52.154 52.037 -0.031 0.000 0.757 255 A CB 0.076 19.058 19.000 -0.030 0.000 0.979 255 A HN -0.020 nan 8.150 nan 0.000 0.508 256 K N 3.005 123.309 120.400 -0.160 0.000 2.258 256 K HA 0.340 4.659 4.320 -0.000 0.000 0.284 256 K C -0.188 176.229 176.600 -0.304 0.000 1.051 256 K CA -0.047 56.062 56.287 -0.296 0.000 0.923 256 K CB 0.796 32.945 32.500 -0.584 0.000 1.046 256 K HN 0.683 nan 8.250 nan 0.000 0.474 257 L N 3.002 124.065 121.223 -0.267 0.000 2.417 257 L HA 0.356 4.696 4.340 -0.000 0.000 0.268 257 L C 0.065 176.766 176.870 -0.283 0.000 1.158 257 L CA -0.712 53.968 54.840 -0.266 0.000 0.819 257 L CB 0.971 42.918 42.059 -0.187 0.000 1.112 257 L HN 0.153 nan 8.230 nan 0.000 0.458 258 V N 3.335 123.057 119.914 -0.320 0.000 2.668 258 V HA 0.293 4.413 4.120 -0.000 0.000 0.304 258 V C 0.297 176.291 176.094 -0.167 0.000 1.071 258 V CA -0.375 61.779 62.300 -0.243 0.000 0.894 258 V CB 2.218 33.866 31.823 -0.293 0.000 1.008 258 V HN 0.634 nan 8.190 nan 0.000 0.425 259 V N 3.273 123.149 119.914 -0.064 0.000 3.430 259 V HA 0.283 4.403 4.120 -0.000 0.000 0.211 259 V C 2.032 178.157 176.094 0.051 0.000 1.173 259 V CA 1.305 63.596 62.300 -0.014 0.000 1.310 259 V CB -0.140 31.670 31.823 -0.022 0.000 1.361 259 V HN 0.860 nan 8.190 nan 0.000 0.512 260 G N -0.667 108.161 108.800 0.047 0.000 2.683 260 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.213 260 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.213 260 G C 0.789 175.751 174.900 0.103 0.000 1.142 260 G CA 0.848 45.994 45.100 0.077 0.000 0.793 260 G HN 0.613 nan 8.290 nan 0.000 0.534 261 N N -0.441 118.315 118.700 0.093 0.000 2.828 261 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 261 N C 1.435 177.017 175.510 0.120 0.000 1.044 261 N CA 1.844 54.962 53.050 0.114 0.000 0.851 261 N CB -1.698 36.884 38.487 0.159 0.000 1.136 261 N HN 0.411 nan 8.380 nan 0.000 0.572 262 T N -4.041 110.580 114.554 0.112 0.000 3.160 262 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 262 T C 1.265 176.036 174.700 0.118 0.000 1.147 262 T CA 1.329 63.503 62.100 0.124 0.000 1.064 262 T CB 0.282 69.228 68.868 0.131 0.000 0.949 262 T HN 0.401 nan 8.240 nan 0.000 0.526 263 E N 0.647 120.911 120.200 0.106 0.000 2.378 263 E HA 0.225 4.574 4.350 -0.000 0.000 0.200 263 E C 1.874 178.548 176.600 0.124 0.000 0.882 263 E CA -0.120 56.340 56.400 0.100 0.000 1.061 263 E CB -0.394 29.348 29.700 0.070 0.000 1.049 263 E HN 0.253 nan 8.360 nan 0.000 0.494 264 I N 1.675 122.308 120.570 0.104 0.000 2.264 264 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 264 I C 2.293 178.538 176.117 0.212 0.000 1.111 264 I CA 1.780 63.167 61.300 0.145 0.000 1.382 264 I CB -1.589 36.446 38.000 0.058 0.000 1.060 264 I HN 0.343 nan 8.210 nan 0.000 0.418 265 G N 1.158 110.068 108.800 0.183 0.000 2.422 265 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 265 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 265 G C 1.617 176.659 174.900 0.236 0.000 1.146 265 G CA 0.310 45.526 45.100 0.194 0.000 0.769 265 G HN 0.212 nan 8.290 nan 0.000 0.547 266 I N 0.892 121.617 120.570 0.258 0.000 2.286 266 I HA -0.029 4.141 4.170 -0.000 0.000 0.245 266 I C 2.541 178.865 176.117 0.344 0.000 1.104 266 I CA 0.805 62.323 61.300 0.363 0.000 1.397 266 I CB -1.240 36.893 38.000 0.221 0.000 1.072 266 I HN 0.309 nan 8.210 nan 0.000 0.417 267 E N 0.450 120.804 120.200 0.257 0.000 2.085 267 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 267 E C 2.314 179.019 176.600 0.176 0.000 0.994 267 E CA 1.387 57.928 56.400 0.236 0.000 0.801 267 E CB -0.109 29.770 29.700 0.298 0.000 0.743 267 E HN 0.436 nan 8.360 nan 0.000 0.453 268 M N 0.096 119.802 119.600 0.177 0.000 2.200 268 M HA -0.104 4.376 4.480 -0.000 0.000 0.265 268 M C 2.248 178.541 176.300 -0.012 0.000 1.066 268 M CA 1.067 56.409 55.300 0.070 0.000 1.127 268 M CB 0.004 32.675 32.600 0.117 0.000 1.379 268 M HN -0.128 nan 8.290 nan 0.000 0.420 269 K N 0.342 120.735 120.400 -0.012 0.000 2.211 269 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 269 K C 0.902 177.190 176.600 -0.520 0.000 1.052 269 K CA 1.327 57.443 56.287 -0.285 0.000 0.973 269 K CB 0.164 32.447 32.500 -0.361 0.000 0.766 269 K HN 0.207 nan 8.250 nan 0.000 0.466 270 F N -0.483 119.490 119.950 0.039 0.000 2.746 270 F HA 0.326 4.853 4.527 -0.000 0.000 0.313 270 F C 0.875 176.697 175.800 0.036 0.000 1.095 270 F CA -0.276 57.748 58.000 0.040 0.000 1.224 270 F CB 0.770 39.810 39.000 0.067 0.000 1.060 270 F HN -0.222 nan 8.300 nan 0.000 0.584 271 K N 0.228 120.733 120.400 0.175 0.000 2.455 271 K HA 0.204 4.523 4.320 -0.000 0.000 0.206 271 K C -0.066 176.559 176.600 0.042 0.000 1.027 271 K CA -0.027 56.336 56.287 0.126 0.000 1.113 271 K CB -0.334 32.256 32.500 0.150 0.000 0.850 271 K HN 0.077 nan 8.250 nan 0.000 0.503 272 N N 2.139 120.819 118.700 -0.032 0.000 2.696 272 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 272 N C -0.529 174.924 175.510 -0.095 0.000 1.090 272 N CA 0.930 53.922 53.050 -0.098 0.000 0.716 272 N CB -0.505 37.943 38.487 -0.064 0.000 1.020 272 N HN 0.333 nan 8.380 nan 0.000 0.548 273 Q N 0.345 120.069 119.800 -0.127 0.000 2.230 273 Q HA 0.556 4.896 4.340 -0.000 0.000 0.248 273 Q C 0.059 175.784 176.000 -0.458 0.000 0.915 273 Q CA -0.433 55.180 55.803 -0.316 0.000 0.900 273 Q CB 1.860 30.406 28.738 -0.321 0.000 1.229 273 Q HN 0.333 nan 8.270 nan 0.000 0.439 274 L N 2.482 123.312 121.223 -0.654 0.000 2.482 274 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 274 L C -1.848 174.675 176.870 -0.577 0.000 0.967 274 L CA -0.239 54.321 54.840 -0.467 0.000 0.851 274 L CB 0.978 42.918 42.059 -0.198 0.000 1.242 274 L HN 0.455 nan 8.230 nan 0.000 0.404 275 F N 7.182 127.151 119.950 0.032 0.000 2.311 275 F HA 0.472 4.999 4.527 -0.000 0.000 0.371 275 F C -1.236 174.577 175.800 0.021 0.000 1.083 275 F CA -1.383 56.628 58.000 0.019 0.000 1.113 275 F CB 1.056 40.061 39.000 0.008 0.000 1.349 275 F HN 0.444 nan 8.300 nan 0.000 0.470 276 P HA -0.199 nan 4.420 nan 0.000 0.218 276 P C 0.214 177.560 177.300 0.076 0.000 1.146 276 P CA 1.347 64.498 63.100 0.084 0.000 0.813 276 P CB 0.598 32.328 31.700 0.050 0.000 0.778 277 M N -0.276 119.365 119.600 0.069 0.000 2.263 277 M HA 0.470 4.950 4.480 -0.000 0.000 0.295 277 M C -1.619 174.660 176.300 -0.035 0.000 1.028 277 M CA -0.910 54.387 55.300 -0.004 0.000 0.921 277 M CB 1.980 34.525 32.600 -0.092 0.000 1.601 277 M HN -0.330 nan 8.290 nan 0.000 0.440 278 I N 5.468 125.979 120.570 -0.099 0.000 2.569 278 I HA 0.508 4.678 4.170 -0.000 0.000 0.296 278 I C -1.044 174.789 176.117 -0.474 0.000 1.028 278 I CA -0.807 60.323 61.300 -0.284 0.000 1.082 278 I CB 2.410 40.211 38.000 -0.331 0.000 1.264 278 I HN 0.687 nan 8.210 nan 0.000 0.429 279 I N 5.071 125.343 120.570 -0.496 0.000 2.418 279 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 279 I C -0.664 175.106 176.117 -0.578 0.000 1.008 279 I CA -0.512 60.499 61.300 -0.482 0.000 1.104 279 I CB 1.924 39.759 38.000 -0.274 0.000 1.264 279 I HN 0.533 nan 8.210 nan 0.000 0.438 280 C N 9.264 128.157 119.300 -0.677 0.000 2.251 280 C HA 0.489 4.949 4.460 -0.000 0.000 0.323 280 C C -1.337 173.465 174.990 -0.313 0.000 1.241 280 C CA -1.533 57.177 59.018 -0.512 0.000 1.601 280 C CB 0.458 27.928 27.740 -0.450 0.000 2.251 280 C HN 0.615 nan 8.230 nan 0.000 0.488 281 P HA 0.125 nan 4.420 nan 0.000 0.262 281 P C 1.164 178.435 177.300 -0.048 0.000 1.304 281 P CA 0.536 63.565 63.100 -0.118 0.000 0.859 281 P CB 0.166 31.810 31.700 -0.094 0.000 1.310 282 A N 0.214 122.994 122.820 -0.067 0.000 1.971 282 A HA -0.181 4.139 4.320 -0.000 0.000 0.222 282 A C 1.783 179.497 177.584 0.217 0.000 1.182 282 A CA 1.505 53.568 52.037 0.042 0.000 0.649 282 A CB -1.782 17.246 19.000 0.047 0.000 0.818 282 A HN 0.219 nan 8.150 nan 0.000 0.458 283 W N -0.226 121.106 121.300 0.052 0.000 2.678 283 W HA 0.228 4.888 4.660 0.000 0.000 0.256 283 W C 0.514 177.050 176.519 0.029 0.000 1.280 283 W CA -0.752 56.624 57.345 0.053 0.000 1.345 283 W CB -0.918 28.585 29.460 0.071 0.000 1.118 283 W HN 0.147 nan 8.180 nan 0.000 0.629 284 I N 4.783 125.486 120.570 0.222 0.000 2.664 284 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 284 I C -0.524 175.641 176.117 0.079 0.000 1.154 284 I CA -0.926 60.448 61.300 0.123 0.000 1.402 284 I CB 0.591 38.631 38.000 0.066 0.000 1.395 284 I HN -0.323 nan 8.210 nan 0.000 0.545 285 P HA -0.209 nan 4.420 nan 0.000 0.216 285 P C 1.043 178.346 177.300 0.005 0.000 1.150 285 P CA 1.494 64.611 63.100 0.027 0.000 0.843 285 P CB 0.324 32.035 31.700 0.018 0.000 0.787 286 E N 0.070 120.272 120.200 0.003 0.000 2.110 286 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 286 E C 2.064 178.652 176.600 -0.020 0.000 0.988 286 E CA 0.901 57.292 56.400 -0.015 0.000 0.804 286 E CB -1.029 28.661 29.700 -0.015 0.000 0.745 286 E HN 0.280 nan 8.360 nan 0.000 0.458 287 L N 0.717 121.937 121.223 -0.006 0.000 2.610 287 L HA 0.018 4.358 4.340 -0.000 0.000 0.232 287 L C 1.109 177.976 176.870 -0.005 0.000 1.149 287 L CA 0.420 55.254 54.840 -0.010 0.000 0.872 287 L CB -0.030 42.027 42.059 -0.004 0.000 0.992 287 L HN 0.139 nan 8.230 nan 0.000 0.447 288 N N -0.288 118.410 118.700 -0.003 0.000 2.159 288 N HA 0.185 4.925 4.740 -0.000 0.000 0.217 288 N C 0.443 175.936 175.510 -0.028 0.000 1.223 288 N CA 0.039 53.086 53.050 -0.006 0.000 0.896 288 N CB 1.001 39.491 38.487 0.006 0.000 1.064 288 N HN 0.089 nan 8.380 nan 0.000 0.518 289 A N 1.156 123.949 122.820 -0.045 0.000 2.425 289 A HA 0.442 4.762 4.320 -0.000 0.000 0.249 289 A C 0.176 177.673 177.584 -0.144 0.000 1.084 289 A CA 0.079 52.067 52.037 -0.081 0.000 0.781 289 A CB 0.576 19.530 19.000 -0.077 0.000 1.019 289 A HN -0.043 nan 8.150 nan 0.000 0.490 290 V N 3.138 122.932 119.914 -0.200 0.000 2.444 290 V HA 0.424 4.544 4.120 -0.000 0.000 0.294 290 V C -0.323 175.553 176.094 -0.362 0.000 1.022 290 V CA -0.346 61.718 62.300 -0.393 0.000 0.850 290 V CB 1.341 32.928 31.823 -0.393 0.000 0.992 290 V HN 1.020 nan 8.190 nan 0.000 0.426 291 E N 3.006 122.926 120.200 -0.467 0.000 2.256 291 E HA 0.464 4.814 4.350 -0.000 0.000 0.268 291 E C -1.134 175.214 176.600 -0.421 0.000 0.877 291 E CA -0.748 55.463 56.400 -0.314 0.000 0.757 291 E CB 1.780 31.363 29.700 -0.196 0.000 1.183 291 E HN 0.683 nan 8.360 nan 0.000 0.418 292 H N 2.201 121.174 119.070 -0.161 0.000 2.787 292 H HA 0.290 4.846 4.556 -0.000 0.000 0.275 292 H C 0.165 175.479 175.328 -0.023 0.000 1.183 292 H CA -0.330 55.663 56.048 -0.091 0.000 1.290 292 H CB 0.943 30.684 29.762 -0.036 0.000 1.438 292 H HN 0.623 nan 8.280 nan 0.000 0.487 293 G N 2.648 111.469 108.800 0.034 0.000 2.552 293 G HA2 0.211 4.171 3.960 -0.000 0.000 0.318 293 G HA3 0.211 4.171 3.960 -0.000 0.000 0.318 293 G C -1.567 173.435 174.900 0.169 0.000 1.240 293 G CA -1.404 43.730 45.100 0.057 0.000 1.002 293 G HN 0.236 nan 8.290 nan 0.000 0.493 294 P HA -0.001 nan 4.420 nan 0.000 0.219 294 P C 1.456 178.886 177.300 0.216 0.000 1.150 294 P CA 0.875 64.059 63.100 0.140 0.000 0.814 294 P CB 0.411 32.145 31.700 0.057 0.000 0.787 295 E N -0.900 119.382 120.200 0.136 0.000 2.250 295 E HA 0.209 4.559 4.350 -0.000 0.000 0.192 295 E C 1.338 177.957 176.600 0.032 0.000 0.986 295 E CA 0.833 57.295 56.400 0.104 0.000 0.849 295 E CB 0.038 29.742 29.700 0.008 0.000 0.797 295 E HN 0.228 nan 8.360 nan 0.000 0.482 296 G N 0.128 108.826 108.800 -0.171 0.000 2.335 296 G HA2 0.349 4.308 3.960 -0.000 0.000 0.291 296 G HA3 0.349 4.308 3.960 -0.000 0.000 0.291 296 G C -1.495 173.113 174.900 -0.487 0.000 1.261 296 G CA -0.928 43.772 45.100 -0.667 0.000 0.871 296 G HN -0.016 nan 8.290 nan 0.000 0.491 297 I N 1.571 121.891 120.570 -0.418 0.000 2.354 297 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 297 I C 0.306 176.141 176.117 -0.469 0.000 0.989 297 I CA -0.607 60.382 61.300 -0.519 0.000 1.188 297 I CB 1.764 39.357 38.000 -0.678 0.000 1.342 297 I HN 0.388 nan 8.210 nan 0.000 0.457 298 S N 6.487 121.864 115.700 -0.538 0.000 2.480 298 S HA 0.652 5.122 4.470 -0.000 0.000 0.286 298 S C -0.903 173.359 174.600 -0.563 0.000 1.180 298 S CA -0.300 57.667 58.200 -0.389 0.000 1.075 298 S CB 0.330 63.368 63.200 -0.270 0.000 0.996 298 S HN 0.322 nan 8.310 nan 0.000 0.487 299 F N 2.054 121.862 119.950 -0.236 0.000 2.532 299 F HA 0.562 5.088 4.527 -0.000 0.000 0.321 299 F C 1.079 176.775 175.800 -0.172 0.000 1.089 299 F CA -0.724 57.151 58.000 -0.209 0.000 0.926 299 F CB 1.614 40.485 39.000 -0.216 0.000 1.168 299 F HN 0.726 nan 8.300 nan 0.000 0.459 300 G N 0.599 109.423 108.800 0.040 0.000 2.491 300 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 300 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 300 G C 0.778 175.674 174.900 -0.007 0.000 1.277 300 G CA 0.010 45.106 45.100 -0.007 0.000 0.851 300 G HN 0.965 nan 8.290 nan 0.000 0.573 301 A N 1.783 124.583 122.820 -0.034 0.000 2.070 301 A HA 0.173 4.493 4.320 -0.000 0.000 0.220 301 A C 2.468 180.029 177.584 -0.039 0.000 1.159 301 A CA 2.139 54.149 52.037 -0.045 0.000 0.656 301 A CB -0.210 18.762 19.000 -0.047 0.000 0.800 301 A HN 1.289 nan 8.150 nan 0.000 0.453 302 A N -1.612 121.191 122.820 -0.029 0.000 2.251 302 A HA 0.269 4.589 4.320 -0.000 0.000 0.209 302 A C 0.851 178.413 177.584 -0.037 0.000 1.187 302 A CA -0.007 52.014 52.037 -0.027 0.000 0.823 302 A CB -0.839 18.156 19.000 -0.009 0.000 0.846 302 A HN 0.446 nan 8.150 nan 0.000 0.486 303 C N 1.613 120.891 119.300 -0.037 0.000 2.634 303 C HA 0.421 4.881 4.460 -0.000 0.000 0.418 303 C C 1.400 176.321 174.990 -0.115 0.000 1.373 303 C CA -0.438 58.549 59.018 -0.052 0.000 1.756 303 C CB -1.032 26.715 27.740 0.011 0.000 2.589 303 C HN 0.647 nan 8.230 nan 0.000 0.602 304 A N 4.367 127.100 122.820 -0.145 0.000 2.445 304 A HA 0.350 4.670 4.320 -0.000 0.000 0.242 304 A C 1.159 178.601 177.584 -0.236 0.000 1.075 304 A CA -0.336 51.588 52.037 -0.188 0.000 0.777 304 A CB 0.159 19.018 19.000 -0.236 0.000 1.013 304 A HN 0.956 nan 8.150 nan 0.000 0.493 305 L N 1.989 123.049 121.223 -0.273 0.000 2.127 305 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 305 L C 2.827 179.509 176.870 -0.313 0.000 1.089 305 L CA 1.910 56.537 54.840 -0.355 0.000 0.757 305 L CB -0.657 41.099 42.059 -0.505 0.000 0.899 305 L HN 0.973 nan 8.230 nan 0.000 0.434 306 S N -1.322 114.224 115.700 -0.257 0.000 2.382 306 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 306 S C 2.085 176.570 174.600 -0.192 0.000 1.027 306 S CA 1.356 59.430 58.200 -0.211 0.000 0.991 306 S CB -0.367 62.722 63.200 -0.184 0.000 0.823 306 S HN 0.331 nan 8.310 nan 0.000 0.469 307 S N 1.526 117.109 115.700 -0.194 0.000 2.355 307 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 307 S C 2.027 176.551 174.600 -0.126 0.000 1.031 307 S CA 1.188 59.307 58.200 -0.134 0.000 0.993 307 S CB -0.647 62.489 63.200 -0.106 0.000 0.859 307 S HN 0.426 nan 8.310 nan 0.000 0.453 308 V N 1.977 121.723 119.914 -0.281 0.000 2.287 308 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 308 V C 2.485 178.382 176.094 -0.328 0.000 1.053 308 V CA 2.106 64.078 62.300 -0.548 0.000 1.027 308 V CB -0.675 30.659 31.823 -0.815 0.000 0.646 308 V HN 0.536 nan 8.190 nan 0.000 0.447 309 E N 0.301 120.337 120.200 -0.273 0.000 2.070 309 E HA -0.321 4.029 4.350 -0.000 0.000 0.197 309 E C 2.334 178.852 176.600 -0.137 0.000 1.004 309 E CA 1.975 58.252 56.400 -0.204 0.000 0.805 309 E CB -0.141 29.438 29.700 -0.201 0.000 0.744 309 E HN 0.604 nan 8.360 nan 0.000 0.451 310 K N -0.344 119.987 120.400 -0.115 0.000 2.002 310 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 310 K C 2.097 178.674 176.600 -0.039 0.000 1.048 310 K CA 1.947 58.190 56.287 -0.074 0.000 0.930 310 K CB -0.179 32.279 32.500 -0.070 0.000 0.714 310 K HN 0.066 nan 8.250 nan 0.000 0.438 311 T N 1.968 116.521 114.554 -0.001 0.000 2.788 311 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 311 T C 1.757 176.457 174.700 0.000 0.000 1.044 311 T CA 1.291 63.422 62.100 0.052 0.000 1.139 311 T CB -0.074 68.914 68.868 0.200 0.000 0.867 311 T HN 0.181 nan 8.240 nan 0.000 0.454 312 L N 0.119 121.303 121.223 -0.066 0.000 2.156 312 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 312 L C 2.409 179.247 176.870 -0.053 0.000 1.095 312 L CA 0.756 55.498 54.840 -0.164 0.000 0.770 312 L CB -0.511 41.417 42.059 -0.218 0.000 0.914 312 L HN 0.261 nan 8.230 nan 0.000 0.439 313 L N -0.243 120.956 121.223 -0.041 0.000 2.046 313 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 313 L C 2.573 179.448 176.870 0.009 0.000 1.077 313 L CA 1.415 56.246 54.840 -0.015 0.000 0.747 313 L CB -0.392 41.645 42.059 -0.036 0.000 0.896 313 L HN 0.292 nan 8.230 nan 0.000 0.432 314 E N 0.045 120.247 120.200 0.004 0.000 2.077 314 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 314 E C 2.287 178.914 176.600 0.046 0.000 0.989 314 E CA 1.139 57.547 56.400 0.015 0.000 0.800 314 E CB -0.236 29.467 29.700 0.005 0.000 0.746 314 E HN 0.511 nan 8.360 nan 0.000 0.452 315 A N 1.219 124.082 122.820 0.071 0.000 1.908 315 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 315 A C 2.543 180.244 177.584 0.195 0.000 1.181 315 A CA 1.332 53.465 52.037 0.159 0.000 0.627 315 A CB -0.723 18.379 19.000 0.170 0.000 0.818 315 A HN 0.125 nan 8.150 nan 0.000 0.445 316 V N -0.349 119.668 119.914 0.171 0.000 2.358 316 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 316 V C 3.003 179.151 176.094 0.090 0.000 1.047 316 V CA 1.877 64.269 62.300 0.154 0.000 1.035 316 V CB -1.102 30.796 31.823 0.126 0.000 0.658 316 V HN 0.616 nan 8.190 nan 0.000 0.452 317 A N -0.346 122.511 122.820 0.062 0.000 1.968 317 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 317 A C 2.269 179.871 177.584 0.031 0.000 1.169 317 A CA 1.637 53.696 52.037 0.037 0.000 0.638 317 A CB -0.242 18.770 19.000 0.021 0.000 0.812 317 A HN 0.573 nan 8.150 nan 0.000 0.446 318 K N -0.935 119.488 120.400 0.037 0.000 2.202 318 K HA 0.279 4.599 4.320 -0.000 0.000 0.201 318 K C 0.182 176.796 176.600 0.022 0.000 1.051 318 K CA 0.109 56.408 56.287 0.021 0.000 0.977 318 K CB -0.050 32.456 32.500 0.010 0.000 0.792 318 K HN 0.356 nan 8.250 nan 0.000 0.469 319 L N 2.065 123.318 121.223 0.051 0.000 2.439 319 L HA 0.281 4.621 4.340 -0.000 0.000 0.259 319 L C -2.240 174.639 176.870 0.016 0.000 1.129 319 L CA -2.419 52.439 54.840 0.029 0.000 0.803 319 L CB 0.164 42.264 42.059 0.068 0.000 1.161 319 L HN -0.179 nan 8.230 nan 0.000 0.462 320 P HA 0.047 nan 4.420 nan 0.000 0.268 320 P C 0.485 177.782 177.300 -0.006 0.000 1.205 320 P CA -0.026 63.062 63.100 -0.019 0.000 0.771 320 P CB 0.596 32.269 31.700 -0.045 0.000 0.858 321 T N 0.965 115.526 114.554 0.012 0.000 2.778 321 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 321 T C 1.570 176.279 174.700 0.016 0.000 1.050 321 T CA 1.513 63.630 62.100 0.028 0.000 1.137 321 T CB -0.351 68.542 68.868 0.041 0.000 0.860 321 T HN 0.445 nan 8.240 nan 0.000 0.468 322 Q N 0.660 120.458 119.800 -0.004 0.000 2.488 322 Q HA 0.098 4.438 4.340 -0.000 0.000 0.211 322 Q C 1.813 177.756 176.000 -0.094 0.000 0.967 322 Q CA 1.164 56.947 55.803 -0.034 0.000 0.926 322 Q CB -0.042 28.672 28.738 -0.040 0.000 0.992 322 Q HN 0.349 nan 8.270 nan 0.000 0.506 323 K N -1.339 119.003 120.400 -0.096 0.000 2.353 323 K HA 0.089 4.409 4.320 -0.000 0.000 0.195 323 K C 0.409 176.898 176.600 -0.185 0.000 1.031 323 K CA 0.926 57.128 56.287 -0.141 0.000 1.079 323 K CB 0.814 33.200 32.500 -0.191 0.000 0.857 323 K HN 0.240 nan 8.250 nan 0.000 0.535 324 T N -2.080 112.388 114.554 -0.143 0.000 3.248 324 T HA 0.207 4.557 4.350 -0.000 0.000 0.271 324 T C 0.832 175.444 174.700 -0.147 0.000 1.005 324 T CA -0.405 61.575 62.100 -0.200 0.000 0.902 324 T CB 0.442 69.365 68.868 0.091 0.000 1.102 324 T HN -0.085 nan 8.240 nan 0.000 0.548 325 E N 1.405 121.518 120.200 -0.146 0.000 2.058 325 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 325 E C 2.189 178.722 176.600 -0.112 0.000 0.997 325 E CA 1.047 57.431 56.400 -0.025 0.000 0.801 325 E CB -0.294 29.430 29.700 0.041 0.000 0.746 325 E HN 0.462 nan 8.360 nan 0.000 0.450 326 V N 1.282 120.956 119.914 -0.400 0.000 2.307 326 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 326 V C 2.242 178.204 176.094 -0.220 0.000 1.045 326 V CA 1.478 63.371 62.300 -0.678 0.000 1.024 326 V CB -0.665 30.764 31.823 -0.658 0.000 0.651 326 V HN 0.073 nan 8.190 nan 0.000 0.449 327 F N 0.858 120.717 119.950 -0.153 0.000 2.091 327 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 327 F C 2.600 178.365 175.800 -0.059 0.000 1.103 327 F CA 1.654 59.607 58.000 -0.079 0.000 1.228 327 F CB -1.256 37.736 39.000 -0.013 0.000 0.984 327 F HN 0.052 nan 8.300 nan 0.000 0.477 328 R N 0.174 120.772 120.500 0.164 0.000 2.105 328 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 328 R C 2.559 178.906 176.300 0.079 0.000 1.135 328 R CA 1.309 57.472 56.100 0.105 0.000 0.967 328 R CB -1.152 29.207 30.300 0.098 0.000 0.861 328 R HN 0.369 nan 8.270 nan 0.000 0.442 329 G N -0.842 108.021 108.800 0.104 0.000 2.418 329 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 329 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 329 G C 1.377 176.308 174.900 0.051 0.000 1.158 329 G CA 0.891 46.087 45.100 0.159 0.000 0.771 329 G HN 0.206 nan 8.290 nan 0.000 0.545 330 V N 1.040 120.957 119.914 0.005 0.000 2.343 330 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 330 V C 2.908 178.962 176.094 -0.067 0.000 1.051 330 V CA 1.376 63.643 62.300 -0.055 0.000 1.036 330 V CB -0.447 31.353 31.823 -0.037 0.000 0.654 330 V HN 0.335 nan 8.190 nan 0.000 0.451 331 L N -0.526 120.672 121.223 -0.042 0.000 2.083 331 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 331 L C 2.757 179.567 176.870 -0.099 0.000 1.083 331 L CA 1.345 56.140 54.840 -0.076 0.000 0.752 331 L CB -0.627 41.408 42.059 -0.040 0.000 0.899 331 L HN 0.315 nan 8.230 nan 0.000 0.433 332 E N 0.020 120.191 120.200 -0.049 0.000 2.077 332 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 332 E C 2.254 178.827 176.600 -0.044 0.000 0.989 332 E CA 1.193 57.572 56.400 -0.034 0.000 0.800 332 E CB -0.000 29.721 29.700 0.035 0.000 0.746 332 E HN 0.448 nan 8.360 nan 0.000 0.452 333 Q N 0.125 119.923 119.800 -0.003 0.000 2.046 333 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 333 Q C 2.571 178.606 176.000 0.058 0.000 0.975 333 Q CA 0.693 56.534 55.803 0.065 0.000 0.836 333 Q CB -0.410 28.347 28.738 0.032 0.000 0.896 333 Q HN 0.350 nan 8.270 nan 0.000 0.428 334 L N 0.471 121.667 121.223 -0.045 0.000 2.187 334 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 334 L C 2.651 179.435 176.870 -0.143 0.000 1.100 334 L CA 0.920 55.703 54.840 -0.095 0.000 0.765 334 L CB -0.408 41.528 42.059 -0.206 0.000 0.904 334 L HN 0.206 nan 8.230 nan 0.000 0.437 335 R N 0.081 120.387 120.500 -0.324 0.000 2.096 335 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 335 R C 0.991 176.866 176.300 -0.709 0.000 1.127 335 R CA 1.658 57.355 56.100 -0.673 0.000 0.968 335 R CB -0.066 29.598 30.300 -1.060 0.000 0.861 335 R HN 0.405 nan 8.270 nan 0.000 0.440 336 W N -0.770 120.559 121.300 0.047 0.000 2.862 336 W HA 0.253 4.913 4.660 -0.000 0.000 0.426 336 W C -0.567 175.995 176.519 0.073 0.000 0.950 336 W CA -1.078 56.283 57.345 0.026 0.000 2.150 336 W CB 0.213 29.664 29.460 -0.014 0.000 1.161 336 W HN -0.101 nan 8.180 nan 0.000 0.696 337 F N 1.748 121.732 119.950 0.058 0.000 2.334 337 F HA 0.619 5.146 4.527 -0.000 0.000 0.367 337 F C 1.141 176.956 175.800 0.024 0.000 1.115 337 F CA -0.320 57.698 58.000 0.030 0.000 1.116 337 F CB 0.113 39.097 39.000 -0.027 0.000 1.230 337 F HN 0.103 nan 8.300 nan 0.000 0.484 338 A N 3.847 126.790 122.820 0.205 0.000 5.481 338 A HA -0.062 4.258 4.320 -0.000 0.000 0.318 338 A C 0.680 178.370 177.584 0.177 0.000 1.837 338 A CA 1.138 53.289 52.037 0.190 0.000 0.717 338 A CB -1.897 17.273 19.000 0.284 0.000 1.349 338 A HN 1.461 nan 8.150 nan 0.000 0.388 339 G N -3.680 105.215 108.800 0.159 0.000 2.921 339 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 339 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 339 G C 0.287 175.228 174.900 0.068 0.000 1.370 339 G CA 0.482 45.643 45.100 0.102 0.000 0.847 339 G HN 0.620 nan 8.290 nan 0.000 0.532 340 K N -0.429 119.988 120.400 0.028 0.000 2.026 340 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 340 K C 2.618 179.249 176.600 0.051 0.000 1.048 340 K CA 1.530 57.821 56.287 0.005 0.000 0.929 340 K CB -0.372 32.108 32.500 -0.033 0.000 0.713 340 K HN 0.471 nan 8.250 nan 0.000 0.439 341 Q N 0.396 120.246 119.800 0.082 0.000 2.077 341 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 341 Q C 2.245 178.318 176.000 0.121 0.000 0.989 341 Q CA 1.460 57.333 55.803 0.117 0.000 0.853 341 Q CB -0.506 28.304 28.738 0.120 0.000 0.907 341 Q HN 0.031 nan 8.270 nan 0.000 0.418 342 V N 0.679 120.663 119.914 0.117 0.000 2.323 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 342 V C 1.925 178.064 176.094 0.075 0.000 1.041 342 V CA 1.705 64.081 62.300 0.126 0.000 1.025 342 V CB -0.396 31.532 31.823 0.175 0.000 0.656 342 V HN 0.313 nan 8.190 nan 0.000 0.451 343 K N 0.011 120.429 120.400 0.030 0.000 2.209 343 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 343 K C 2.186 178.713 176.600 -0.123 0.000 1.048 343 K CA 1.433 57.658 56.287 -0.103 0.000 0.940 343 K CB -0.192 32.221 32.500 -0.144 0.000 0.729 343 K HN 0.346 nan 8.250 nan 0.000 0.451 344 S N 0.345 116.008 115.700 -0.061 0.000 2.522 344 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 344 S C 1.775 176.259 174.600 -0.194 0.000 0.986 344 S CA 0.946 59.064 58.200 -0.136 0.000 0.929 344 S CB 0.239 63.455 63.200 0.027 0.000 0.769 344 S HN 0.310 nan 8.310 nan 0.000 0.529 345 V N -2.183 117.704 119.914 -0.046 0.000 3.359 345 V HA 0.581 4.701 4.120 -0.000 0.000 0.245 345 V C 0.751 176.836 176.094 -0.015 0.000 1.247 345 V CA 0.079 62.376 62.300 -0.006 0.000 1.145 345 V CB -0.736 31.156 31.823 0.115 0.000 0.906 345 V HN 0.250 nan 8.190 nan 0.000 0.464 346 A N 2.464 125.279 122.820 -0.009 0.000 2.511 346 A HA 0.596 4.916 4.320 -0.000 0.000 0.242 346 A C 0.658 178.202 177.584 -0.068 0.000 1.069 346 A CA 0.737 52.772 52.037 -0.004 0.000 0.763 346 A CB -0.179 18.845 19.000 0.040 0.000 1.001 346 A HN 1.129 nan 8.150 nan 0.000 0.498 347 S N 2.062 117.739 115.700 -0.039 0.000 2.690 347 S HA 0.567 5.037 4.470 -0.000 0.000 0.291 347 S C 0.945 175.513 174.600 -0.053 0.000 1.138 347 S CA -0.796 57.366 58.200 -0.063 0.000 1.013 347 S CB 0.987 64.163 63.200 -0.040 0.000 1.053 347 S HN 0.575 nan 8.310 nan 0.000 0.539 348 L N 0.952 122.129 121.223 -0.076 0.000 2.027 348 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 348 L C 2.743 179.620 176.870 0.011 0.000 1.074 348 L CA 1.697 56.510 54.840 -0.046 0.000 0.745 348 L CB -1.139 40.848 42.059 -0.119 0.000 0.898 348 L HN 1.022 nan 8.230 nan 0.000 0.433 349 G N -0.793 107.998 108.800 -0.015 0.000 2.432 349 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 349 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 349 G C 1.522 176.447 174.900 0.041 0.000 1.135 349 G CA 0.695 45.798 45.100 0.005 0.000 0.767 349 G HN 0.510 nan 8.290 nan 0.000 0.550 350 G N 0.903 109.722 108.800 0.031 0.000 2.446 350 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 350 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 350 G C 1.670 176.625 174.900 0.092 0.000 1.168 350 G CA 1.225 46.352 45.100 0.045 0.000 0.771 350 G HN 0.534 nan 8.290 nan 0.000 0.551 351 N N 0.219 118.996 118.700 0.128 0.000 2.120 351 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 351 N C 2.221 177.858 175.510 0.210 0.000 1.024 351 N CA 1.076 54.237 53.050 0.185 0.000 0.852 351 N CB -0.191 38.444 38.487 0.246 0.000 1.003 351 N HN 0.404 nan 8.380 nan 0.000 0.424 352 I N 0.193 120.908 120.570 0.242 0.000 2.179 352 I HA -0.219 3.950 4.170 -0.000 0.000 0.242 352 I C 1.527 177.862 176.117 0.363 0.000 1.088 352 I CA 0.728 62.231 61.300 0.338 0.000 1.357 352 I CB -0.234 37.914 38.000 0.247 0.000 1.051 352 I HN 0.216 nan 8.210 nan 0.000 0.409 353 I N 0.330 121.035 120.570 0.225 0.000 2.546 353 I HA -0.161 4.008 4.170 -0.000 0.000 0.255 353 I C 2.542 178.731 176.117 0.119 0.000 1.163 353 I CA 1.348 62.751 61.300 0.172 0.000 1.457 353 I CB -1.654 36.394 38.000 0.080 0.000 1.092 353 I HN 0.215 nan 8.210 nan 0.000 0.434 354 T N 1.454 116.067 114.554 0.097 0.000 2.759 354 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 354 T C 1.325 176.040 174.700 0.025 0.000 1.042 354 T CA 1.334 63.460 62.100 0.043 0.000 1.140 354 T CB -0.322 68.573 68.868 0.045 0.000 0.864 354 T HN 0.554 nan 8.240 nan 0.000 0.455 355 A N 1.477 124.354 122.820 0.095 0.000 2.687 355 A HA -0.146 4.174 4.320 -0.000 0.000 0.299 355 A C 0.923 178.427 177.584 -0.132 0.000 1.497 355 A CA 0.718 52.775 52.037 0.033 0.000 0.751 355 A CB -2.165 16.941 19.000 0.177 0.000 1.048 355 A HN 0.557 nan 8.150 nan 0.000 0.464 356 S N -0.483 115.154 115.700 -0.105 0.000 2.576 356 S HA 0.482 4.952 4.470 -0.000 0.000 0.276 356 S C -0.564 173.962 174.600 -0.122 0.000 1.339 356 S CA -0.621 57.515 58.200 -0.108 0.000 1.039 356 S CB 0.668 63.831 63.200 -0.061 0.000 0.902 356 S HN 0.280 nan 8.310 nan 0.000 0.516 357 P HA -0.005 nan 4.420 nan 0.000 0.220 357 P C 0.590 177.864 177.300 -0.044 0.000 1.148 357 P CA 0.805 63.884 63.100 -0.035 0.000 0.803 357 P CB -0.116 31.621 31.700 0.063 0.000 0.782 358 I N -5.073 115.472 120.570 -0.042 0.000 3.889 358 I HA 0.259 4.429 4.170 -0.000 0.000 0.332 358 I C 0.464 176.537 176.117 -0.073 0.000 1.493 358 I CA -0.993 60.281 61.300 -0.044 0.000 1.158 358 I CB -0.934 37.044 38.000 -0.036 0.000 1.117 358 I HN -0.291 nan 8.210 nan 0.000 0.411 359 S N 1.148 116.797 115.700 -0.085 0.000 2.552 359 S HA 0.026 4.496 4.470 -0.000 0.000 0.289 359 S C 0.915 175.471 174.600 -0.073 0.000 1.304 359 S CA 0.088 58.240 58.200 -0.080 0.000 1.063 359 S CB 0.290 63.451 63.200 -0.064 0.000 0.848 359 S HN 0.469 nan 8.310 nan 0.000 0.499 360 D N 3.627 123.986 120.400 -0.069 0.000 2.354 360 D HA 0.103 4.743 4.640 -0.000 0.000 0.209 360 D C 1.461 177.719 176.300 -0.070 0.000 1.015 360 D CA 0.500 54.474 54.000 -0.043 0.000 0.867 360 D CB 0.245 41.035 40.800 -0.016 0.000 0.933 360 D HN 0.499 nan 8.370 nan 0.000 0.520 361 L N 0.361 121.526 121.223 -0.096 0.000 2.286 361 L HA 0.054 4.394 4.340 -0.000 0.000 0.203 361 L C 1.958 178.519 176.870 -0.516 0.000 1.068 361 L CA 0.179 54.772 54.840 -0.412 0.000 0.811 361 L CB -0.200 41.612 42.059 -0.412 0.000 0.989 361 L HN -0.169 nan 8.230 nan 0.000 0.467 362 N N 0.763 119.392 118.700 -0.119 0.000 2.137 362 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 362 N C -0.874 174.680 175.510 0.074 0.000 1.017 362 N CA 1.505 54.623 53.050 0.114 0.000 0.859 362 N CB -1.391 37.163 38.487 0.111 0.000 1.002 362 N HN 0.240 nan 8.380 nan 0.000 0.428 363 P HA -0.042 nan 4.420 nan 0.000 0.217 363 P C 1.715 179.019 177.300 0.007 0.000 1.150 363 P CA 0.630 63.725 63.100 -0.008 0.000 0.832 363 P CB 0.153 31.814 31.700 -0.064 0.000 0.787 364 V N -1.400 118.473 119.914 -0.068 0.000 2.379 364 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 364 V C 2.096 178.258 176.094 0.115 0.000 1.044 364 V CA 1.639 63.966 62.300 0.046 0.000 1.036 364 V CB -1.279 30.463 31.823 -0.135 0.000 0.664 364 V HN 0.073 nan 8.190 nan 0.000 0.453 365 F N -1.000 118.995 119.950 0.075 0.000 2.234 365 F HA -0.176 4.350 4.527 -0.000 0.000 0.299 365 F C 2.411 178.239 175.800 0.046 0.000 1.087 365 F CA 1.439 59.454 58.000 0.025 0.000 1.340 365 F CB -0.149 38.858 39.000 0.012 0.000 1.031 365 F HN 0.130 nan 8.300 nan 0.000 0.500 366 M N 0.283 120.051 119.600 0.280 0.000 2.160 366 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 366 M C 2.412 178.818 176.300 0.177 0.000 1.073 366 M CA 1.681 57.117 55.300 0.226 0.000 1.142 366 M CB -0.168 32.593 32.600 0.268 0.000 1.358 366 M HN 0.097 nan 8.290 nan 0.000 0.422 367 A N -0.049 122.878 122.820 0.178 0.000 1.972 367 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 367 A C 2.055 179.787 177.584 0.248 0.000 1.169 367 A CA 1.945 54.089 52.037 0.178 0.000 0.635 367 A CB -0.829 18.244 19.000 0.122 0.000 0.810 367 A HN 0.703 nan 8.150 nan 0.000 0.446 368 S N -1.845 113.994 115.700 0.232 0.000 2.575 368 S HA 0.387 4.857 4.470 -0.000 0.000 0.215 368 S C 1.289 175.912 174.600 0.039 0.000 0.966 368 S CA 0.866 59.116 58.200 0.084 0.000 0.911 368 S CB -0.412 62.709 63.200 -0.130 0.000 0.780 368 S HN 1.849 nan 8.310 nan 0.000 0.514 369 G N 1.629 110.470 108.800 0.068 0.000 2.283 369 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 369 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 369 G C 0.139 175.024 174.900 -0.024 0.000 1.029 369 G CA 0.380 45.495 45.100 0.024 0.000 0.840 369 G HN 0.582 nan 8.290 nan 0.000 0.505 370 T N 0.577 115.122 114.554 -0.015 0.000 2.923 370 T HA 0.189 4.539 4.350 -0.000 0.000 0.304 370 T C 0.958 175.554 174.700 -0.173 0.000 1.044 370 T CA 0.617 62.658 62.100 -0.098 0.000 1.141 370 T CB 0.516 69.302 68.868 -0.137 0.000 1.023 370 T HN 0.437 nan 8.240 nan 0.000 0.533 371 K N 3.253 123.546 120.400 -0.177 0.000 2.297 371 K HA 0.366 4.686 4.320 -0.000 0.000 0.286 371 K C -0.372 176.090 176.600 -0.229 0.000 1.053 371 K CA -0.296 55.883 56.287 -0.180 0.000 0.940 371 K CB 0.619 33.039 32.500 -0.134 0.000 1.019 371 K HN 0.449 nan 8.250 nan 0.000 0.475 372 L N 2.787 123.863 121.223 -0.245 0.000 2.305 372 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 372 L C -0.152 176.619 176.870 -0.165 0.000 1.013 372 L CA -0.756 53.931 54.840 -0.254 0.000 0.819 372 L CB 1.733 43.564 42.059 -0.379 0.000 1.227 372 L HN 0.539 nan 8.230 nan 0.000 0.417 373 T N 4.682 119.157 114.554 -0.133 0.000 2.733 373 T HA 0.551 4.901 4.350 -0.000 0.000 0.294 373 T C 0.002 174.660 174.700 -0.070 0.000 0.956 373 T CA -0.109 61.937 62.100 -0.092 0.000 0.987 373 T CB 0.475 69.292 68.868 -0.085 0.000 0.920 373 T HN 0.281 nan 8.240 nan 0.000 0.470 374 I N 4.519 125.060 120.570 -0.049 0.000 2.362 374 I HA 0.467 4.637 4.170 -0.000 0.000 0.289 374 I C 0.281 176.382 176.117 -0.026 0.000 0.994 374 I CA -1.044 60.240 61.300 -0.027 0.000 1.158 374 I CB 1.386 39.387 38.000 0.002 0.000 1.315 374 I HN 0.364 nan 8.210 nan 0.000 0.451 375 V N 2.303 122.201 119.914 -0.027 0.000 3.096 375 V HA 0.899 5.019 4.120 -0.000 0.000 0.319 375 V C -0.249 175.830 176.094 -0.025 0.000 1.103 375 V CA -0.461 61.823 62.300 -0.027 0.000 1.016 375 V CB 1.866 33.672 31.823 -0.029 0.000 1.090 375 V HN 0.752 nan 8.190 nan 0.000 0.449 376 S N 0.422 116.108 115.700 -0.024 0.000 2.567 376 S HA 0.440 4.910 4.470 -0.000 0.000 0.270 376 S C -0.688 173.898 174.600 -0.023 0.000 1.152 376 S CA -0.913 57.272 58.200 -0.025 0.000 0.835 376 S CB 1.737 64.922 63.200 -0.024 0.000 1.115 376 S HN 1.230 nan 8.310 nan 0.000 0.459 377 R N 1.328 121.813 120.500 -0.024 0.000 2.488 377 R HA 0.349 4.689 4.340 -0.000 0.000 0.317 377 R C 1.381 177.668 176.300 -0.021 0.000 0.941 377 R CA 1.895 57.981 56.100 -0.022 0.000 1.076 377 R CB -0.692 29.593 30.300 -0.024 0.000 0.917 377 R HN 1.424 nan 8.270 nan 0.000 0.407 378 G N 2.638 111.427 108.800 -0.019 0.000 2.234 378 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 378 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 378 G C 0.070 174.959 174.900 -0.018 0.000 0.987 378 G CA 0.666 45.755 45.100 -0.018 0.000 0.625 378 G HN 0.866 nan 8.290 nan 0.000 0.532 379 T N -2.905 111.637 114.554 -0.020 0.000 2.916 379 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 379 T C -0.635 174.052 174.700 -0.022 0.000 1.055 379 T CA -0.086 62.002 62.100 -0.020 0.000 1.009 379 T CB 2.928 71.784 68.868 -0.020 0.000 1.118 379 T HN 1.006 nan 8.240 nan 0.000 0.497 380 R N 0.754 121.241 120.500 -0.022 0.000 2.563 380 R HA 0.537 4.877 4.340 -0.000 0.000 0.262 380 R C -1.384 174.900 176.300 -0.026 0.000 1.128 380 R CA -0.706 55.378 56.100 -0.026 0.000 0.969 380 R CB 1.316 31.600 30.300 -0.027 0.000 1.251 380 R HN 1.062 nan 8.270 nan 0.000 0.442 381 R N 1.273 121.755 120.500 -0.029 0.000 2.739 381 R HA 0.600 4.939 4.340 -0.000 0.000 0.271 381 R C -1.606 174.670 176.300 -0.041 0.000 1.010 381 R CA -0.974 55.108 56.100 -0.031 0.000 0.897 381 R CB 2.313 32.599 30.300 -0.023 0.000 1.236 381 R HN 0.419 nan 8.270 nan 0.000 0.466 382 T N 1.390 115.916 114.554 -0.046 0.000 2.879 382 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 382 T C -0.879 173.782 174.700 -0.065 0.000 0.993 382 T CA -0.666 61.395 62.100 -0.064 0.000 0.975 382 T CB 1.585 70.413 68.868 -0.065 0.000 0.981 382 T HN 0.573 nan 8.240 nan 0.000 0.439 383 V N 1.363 121.224 119.914 -0.089 0.000 2.808 383 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 383 V C -2.970 173.043 176.094 -0.134 0.000 1.099 383 V CA -2.906 59.342 62.300 -0.087 0.000 0.920 383 V CB 2.144 33.932 31.823 -0.058 0.000 1.014 383 V HN 0.604 nan 8.190 nan 0.000 0.425 384 P HA 0.247 nan 4.420 nan 0.000 0.275 384 P C -0.299 176.920 177.300 -0.134 0.000 1.227 384 P CA -0.412 62.622 63.100 -0.111 0.000 0.781 384 P CB 1.194 32.860 31.700 -0.056 0.000 0.906 385 M N 3.861 123.353 119.600 -0.180 0.000 2.238 385 M HA 0.076 4.556 4.480 -0.000 0.000 0.350 385 M C 0.027 176.325 176.300 -0.003 0.000 1.321 385 M CA 0.811 55.994 55.300 -0.195 0.000 1.097 385 M CB 0.023 32.513 32.600 -0.184 0.000 1.713 385 M HN 0.456 nan 8.290 nan 0.000 0.455 386 D N 3.387 123.819 120.400 0.053 0.000 2.732 386 D HA 0.119 4.759 4.640 -0.000 0.000 0.292 386 D C 0.682 177.115 176.300 0.221 0.000 1.135 386 D CA -0.334 53.759 54.000 0.156 0.000 1.071 386 D CB -0.006 40.877 40.800 0.138 0.000 1.457 386 D HN 0.783 nan 8.370 nan 0.000 0.547 387 H N -1.100 118.060 119.070 0.150 0.000 2.489 387 H HA -0.099 4.457 4.556 -0.000 0.000 0.293 387 H C 1.351 176.784 175.328 0.174 0.000 1.066 387 H CA 2.100 58.259 56.048 0.185 0.000 1.305 387 H CB -1.068 28.777 29.762 0.138 0.000 1.386 387 H HN 0.499 nan 8.280 nan 0.000 0.551 388 T N -2.477 111.813 114.554 -0.440 0.000 3.055 388 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 388 T C 1.794 176.421 174.700 -0.121 0.000 1.111 388 T CA 0.300 62.210 62.100 -0.317 0.000 1.118 388 T CB -0.932 67.729 68.868 -0.344 0.000 0.909 388 T HN 0.234 nan 8.240 nan 0.000 0.501 389 F N 1.656 121.455 119.950 -0.251 0.000 2.333 389 F HA 0.278 4.805 4.527 0.000 0.000 0.300 389 F C -0.037 175.426 175.800 -0.562 0.000 1.083 389 F CA -0.301 57.441 58.000 -0.429 0.000 1.395 389 F CB -0.190 38.453 39.000 -0.595 0.000 1.056 389 F HN 0.162 nan 8.300 nan 0.000 0.529 390 F N 0.846 120.790 119.950 -0.010 0.000 2.363 390 F HA 0.324 4.851 4.527 -0.000 0.000 0.366 390 F C -1.687 174.089 175.800 -0.040 0.000 1.083 390 F CA -2.065 55.901 58.000 -0.057 0.000 1.176 390 F CB 0.489 39.526 39.000 0.062 0.000 1.432 390 F HN -0.200 nan 8.300 nan 0.000 0.482 391 P HA -0.097 nan 4.420 nan 0.000 0.214 391 P C 0.014 177.360 177.300 0.077 0.000 1.163 391 P CA 1.255 64.370 63.100 0.025 0.000 0.883 391 P CB 0.287 31.967 31.700 -0.034 0.000 0.788 392 S N -4.501 111.253 115.700 0.090 0.000 2.672 392 S HA 0.306 4.776 4.470 -0.000 0.000 0.271 392 S C -1.142 173.547 174.600 0.149 0.000 1.171 392 S CA -0.974 57.298 58.200 0.120 0.000 0.817 392 S CB -0.062 63.198 63.200 0.101 0.000 1.150 392 S HN -0.018 nan 8.310 nan 0.000 0.478 393 Y N 3.157 123.480 120.300 0.039 0.000 2.910 393 Y HA -0.001 4.549 4.550 -0.000 0.000 0.358 393 Y C 1.458 177.384 175.900 0.042 0.000 1.293 393 Y CA 1.284 59.404 58.100 0.033 0.000 1.630 393 Y CB -0.119 38.356 38.460 0.026 0.000 1.178 393 Y HN 0.787 nan 8.280 nan 0.000 0.550 394 R N 1.700 121.917 120.500 -0.471 0.000 4.000 394 R HA -0.261 4.079 4.340 -0.000 0.000 0.348 394 R C -0.535 175.693 176.300 -0.120 0.000 1.204 394 R CA 1.364 57.234 56.100 -0.383 0.000 0.987 394 R CB -1.625 28.335 30.300 -0.566 0.000 1.446 394 R HN 0.672 nan 8.270 nan 0.000 0.555 395 K N 0.571 120.952 120.400 -0.033 0.000 2.208 395 K HA 0.484 4.804 4.320 -0.000 0.000 0.247 395 K C 0.527 177.101 176.600 -0.044 0.000 0.953 395 K CA -0.176 56.094 56.287 -0.028 0.000 0.837 395 K CB 2.067 34.553 32.500 -0.023 0.000 1.131 395 K HN 0.159 nan 8.250 nan 0.000 0.431 396 T N -2.174 112.255 114.554 -0.207 0.000 2.864 396 T HA 0.398 4.748 4.350 -0.000 0.000 0.289 396 T C 0.220 174.562 174.700 -0.597 0.000 1.082 396 T CA -0.940 60.796 62.100 -0.607 0.000 1.009 396 T CB 0.568 69.004 68.868 -0.721 0.000 1.234 396 T HN 0.380 nan 8.240 nan 0.000 0.526 397 L N 1.376 122.048 121.223 -0.918 0.000 2.955 397 L HA 0.346 4.686 4.340 -0.000 0.000 0.238 397 L C -0.434 176.284 176.870 -0.254 0.000 1.359 397 L CA -0.261 54.307 54.840 -0.454 0.000 1.214 397 L CB -0.697 41.162 42.059 -0.334 0.000 1.600 397 L HN 0.351 nan 8.230 nan 0.000 0.442 398 L N -0.398 120.695 121.223 -0.216 0.000 2.331 398 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 398 L C 0.812 177.637 176.870 -0.076 0.000 1.022 398 L CA -0.518 54.268 54.840 -0.090 0.000 0.812 398 L CB 1.716 43.742 42.059 -0.055 0.000 1.257 398 L HN 0.150 nan 8.230 nan 0.000 0.435 399 G N 0.902 109.673 108.800 -0.049 0.000 2.537 399 G HA2 0.347 4.307 3.960 -0.000 0.000 0.273 399 G HA3 0.347 4.307 3.960 -0.000 0.000 0.273 399 G C -1.474 173.404 174.900 -0.037 0.000 1.189 399 G CA -0.885 44.190 45.100 -0.042 0.000 0.881 399 G HN 0.518 nan 8.290 nan 0.000 0.535 400 P HA -0.082 nan 4.420 nan 0.000 0.221 400 P C 0.717 178.001 177.300 -0.027 0.000 1.145 400 P CA 1.214 64.298 63.100 -0.026 0.000 0.795 400 P CB 0.457 32.146 31.700 -0.018 0.000 0.775 401 E N -0.609 119.574 120.200 -0.028 0.000 2.476 401 E HA 0.104 4.454 4.350 -0.000 0.000 0.196 401 E C 0.215 176.797 176.600 -0.030 0.000 1.029 401 E CA -0.116 56.267 56.400 -0.029 0.000 0.896 401 E CB 0.313 29.996 29.700 -0.029 0.000 1.012 401 E HN 0.476 nan 8.360 nan 0.000 0.475 402 E N 1.025 121.207 120.200 -0.030 0.000 2.222 402 E HA 0.441 4.791 4.350 -0.000 0.000 0.272 402 E C -0.476 176.107 176.600 -0.028 0.000 0.982 402 E CA -0.717 55.667 56.400 -0.026 0.000 0.842 402 E CB 1.692 31.379 29.700 -0.021 0.000 1.144 402 E HN 0.014 nan 8.360 nan 0.000 0.397 403 I N -1.163 119.391 120.570 -0.026 0.000 2.769 403 I HA 0.347 4.517 4.170 -0.000 0.000 0.298 403 I C -1.242 174.862 176.117 -0.021 0.000 1.128 403 I CA -1.290 59.993 61.300 -0.028 0.000 1.031 403 I CB 1.106 39.082 38.000 -0.041 0.000 1.235 403 I HN 0.301 nan 8.210 nan 0.000 0.423 404 L N 4.636 125.849 121.223 -0.017 0.000 2.369 404 L HA 0.319 4.659 4.340 -0.000 0.000 0.279 404 L C 0.427 177.273 176.870 -0.041 0.000 1.108 404 L CA 0.158 54.984 54.840 -0.023 0.000 0.852 404 L CB 0.863 42.914 42.059 -0.013 0.000 1.169 404 L HN 0.890 nan 8.230 nan 0.000 0.452 405 L N 4.011 125.205 121.223 -0.049 0.000 2.130 405 L HA 0.306 4.645 4.340 -0.000 0.000 0.200 405 L C 0.672 177.507 176.870 -0.060 0.000 1.075 405 L CA 1.409 56.219 54.840 -0.050 0.000 0.768 405 L CB -0.040 41.990 42.059 -0.048 0.000 0.933 405 L HN 0.851 nan 8.230 nan 0.000 0.451 406 S N -1.735 113.918 115.700 -0.078 0.000 2.596 406 S HA 0.679 5.149 4.470 -0.000 0.000 0.270 406 S C -0.949 173.573 174.600 -0.129 0.000 1.155 406 S CA -0.793 57.353 58.200 -0.090 0.000 0.827 406 S CB 1.703 64.849 63.200 -0.089 0.000 1.130 406 S HN -0.049 nan 8.310 nan 0.000 0.467 407 I N 1.041 121.529 120.570 -0.138 0.000 2.498 407 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 407 I C -0.360 175.661 176.117 -0.160 0.000 1.032 407 I CA -0.269 60.900 61.300 -0.219 0.000 1.073 407 I CB 1.992 39.780 38.000 -0.353 0.000 1.251 407 I HN 0.870 nan 8.210 nan 0.000 0.426 408 E N 6.562 126.651 120.200 -0.186 0.000 2.114 408 E HA 0.487 4.837 4.350 -0.000 0.000 0.266 408 E C -1.095 175.429 176.600 -0.127 0.000 0.896 408 E CA -0.509 55.803 56.400 -0.146 0.000 0.750 408 E CB 0.932 30.544 29.700 -0.147 0.000 1.121 408 E HN 0.508 nan 8.360 nan 0.000 0.413 409 I N 7.523 128.067 120.570 -0.043 0.000 2.379 409 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 409 I C -1.854 174.306 176.117 0.071 0.000 1.063 409 I CA -1.980 59.353 61.300 0.055 0.000 1.351 409 I CB 0.698 38.814 38.000 0.193 0.000 1.410 409 I HN 0.354 nan 8.210 nan 0.000 0.505 410 P HA 0.045 nan 4.420 nan 0.000 0.275 410 P C -1.103 176.012 177.300 -0.308 0.000 1.228 410 P CA 0.040 63.050 63.100 -0.151 0.000 0.786 410 P CB 0.529 32.158 31.700 -0.118 0.000 0.927 411 Y N 0.393 120.557 120.300 -0.227 0.000 2.336 411 Y HA 0.115 4.665 4.550 -0.000 0.000 0.331 411 Y C 1.619 177.320 175.900 -0.332 0.000 1.211 411 Y CA -0.235 57.623 58.100 -0.404 0.000 1.346 411 Y CB 0.723 39.062 38.460 -0.201 0.000 1.271 411 Y HN 0.353 nan 8.280 nan 0.000 0.538 412 S N 3.007 118.590 115.700 -0.195 0.000 2.586 412 S HA 0.567 5.037 4.470 -0.000 0.000 0.274 412 S C -0.268 174.246 174.600 -0.142 0.000 1.281 412 S CA -1.106 56.987 58.200 -0.178 0.000 1.035 412 S CB 1.419 64.499 63.200 -0.201 0.000 0.962 412 S HN 0.630 nan 8.310 nan 0.000 0.512 413 R N 0.424 120.838 120.500 -0.144 0.000 2.527 413 R HA 0.409 4.748 4.340 -0.000 0.000 0.243 413 R C -0.025 176.164 176.300 -0.185 0.000 1.206 413 R CA -0.906 55.114 56.100 -0.133 0.000 1.134 413 R CB 0.300 30.539 30.300 -0.102 0.000 1.347 413 R HN 0.620 nan 8.270 nan 0.000 0.580 414 E N 1.667 121.777 120.200 -0.150 0.000 2.383 414 E HA -0.019 4.331 4.350 -0.000 0.000 0.264 414 E C -0.299 176.179 176.600 -0.203 0.000 1.050 414 E CA 0.336 56.640 56.400 -0.161 0.000 0.896 414 E CB 0.319 29.965 29.700 -0.089 0.000 0.982 414 E HN 0.538 nan 8.360 nan 0.000 0.424 415 D N 0.554 120.790 120.400 -0.274 0.000 3.079 415 D HA -0.208 4.432 4.640 -0.000 0.000 0.214 415 D C -0.060 175.988 176.300 -0.421 0.000 1.145 415 D CA 1.144 55.019 54.000 -0.209 0.000 0.958 415 D CB -0.703 40.104 40.800 0.010 0.000 1.117 415 D HN 0.545 nan 8.370 nan 0.000 0.416 416 E N -0.305 119.457 120.200 -0.730 0.000 2.165 416 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 416 E C -0.862 175.249 176.600 -0.814 0.000 0.889 416 E CA -0.454 55.608 56.400 -0.563 0.000 0.756 416 E CB 0.935 30.466 29.700 -0.282 0.000 1.131 416 E HN -0.096 nan 8.360 nan 0.000 0.411 417 F N 3.390 123.374 119.950 0.055 0.000 2.561 417 F HA 0.595 5.122 4.527 -0.000 0.000 0.321 417 F C -0.610 175.348 175.800 0.262 0.000 1.065 417 F CA -0.961 57.099 58.000 0.099 0.000 0.934 417 F CB 1.530 40.530 39.000 -0.000 0.000 1.215 417 F HN 0.385 nan 8.300 nan 0.000 0.471 418 F N 0.367 120.475 119.950 0.264 0.000 2.601 418 F HA 0.719 5.246 4.527 -0.000 0.000 0.309 418 F C -0.801 175.052 175.800 0.088 0.000 1.089 418 F CA -0.337 57.752 58.000 0.149 0.000 0.940 418 F CB 2.046 41.047 39.000 0.003 0.000 1.273 418 F HN 0.377 nan 8.300 nan 0.000 0.450 419 S N 2.226 117.572 115.700 -0.590 0.000 2.564 419 S HA 0.925 5.395 4.470 -0.000 0.000 0.274 419 S C -1.550 172.433 174.600 -1.029 0.000 1.124 419 S CA -0.596 57.233 58.200 -0.618 0.000 0.869 419 S CB 1.893 64.830 63.200 -0.438 0.000 1.105 419 S HN 0.894 nan 8.310 nan 0.000 0.472 420 A N 2.114 124.365 122.820 -0.947 0.000 2.408 420 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 420 A C -1.549 175.507 177.584 -0.879 0.000 1.040 420 A CA -0.521 51.080 52.037 -0.727 0.000 0.707 420 A CB 0.610 19.470 19.000 -0.234 0.000 1.235 420 A HN 0.623 nan 8.150 nan 0.000 0.418 421 F N 1.042 120.720 119.950 -0.453 0.000 2.576 421 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 421 F C 0.140 175.582 175.800 -0.598 0.000 1.078 421 F CA -0.680 56.913 58.000 -0.677 0.000 0.921 421 F CB 2.657 40.785 39.000 -1.453 0.000 1.232 421 F HN 0.575 nan 8.300 nan 0.000 0.459 422 K N 2.139 122.461 120.400 -0.131 0.000 2.501 422 K HA 0.561 4.881 4.320 -0.000 0.000 0.252 422 K C -1.896 174.786 176.600 0.136 0.000 0.934 422 K CA -0.696 55.623 56.287 0.054 0.000 0.797 422 K CB 2.269 34.821 32.500 0.085 0.000 1.270 422 K HN 0.636 nan 8.250 nan 0.000 0.431 423 Q N 2.798 122.755 119.800 0.261 0.000 2.305 423 Q HA 0.701 5.041 4.340 -0.000 0.000 0.271 423 Q C -1.931 174.123 176.000 0.090 0.000 1.046 423 Q CA -0.349 55.557 55.803 0.173 0.000 0.798 423 Q CB 2.222 31.114 28.738 0.257 0.000 1.286 423 Q HN 0.777 nan 8.270 nan 0.000 0.435 424 A N 1.863 124.712 122.820 0.048 0.000 3.827 424 A HA 0.722 5.042 4.320 -0.000 0.000 0.199 424 A C 0.155 177.786 177.584 0.077 0.000 0.867 424 A CA 0.243 52.313 52.037 0.054 0.000 0.776 424 A CB 0.354 19.355 19.000 0.001 0.000 1.446 424 A HN 0.663 nan 8.150 nan 0.000 0.768 425 S N -0.861 114.859 115.700 0.034 0.000 2.427 425 S HA 0.200 4.670 4.470 -0.000 0.000 0.224 425 S C 0.987 175.565 174.600 -0.037 0.000 1.047 425 S CA 0.494 58.703 58.200 0.016 0.000 0.953 425 S CB -0.004 63.198 63.200 0.004 0.000 0.824 425 S HN 0.547 nan 8.310 nan 0.000 0.502 426 R N 0.702 121.161 120.500 -0.068 0.000 2.740 426 R HA 0.441 4.781 4.340 -0.000 0.000 0.282 426 R C 0.964 177.169 176.300 -0.159 0.000 0.969 426 R CA -0.719 55.316 56.100 -0.110 0.000 0.918 426 R CB 1.024 31.264 30.300 -0.101 0.000 1.175 426 R HN 0.032 nan 8.270 nan 0.000 0.464 427 R N 1.186 121.531 120.500 -0.258 0.000 2.075 427 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 427 R C -0.429 175.749 176.300 -0.204 0.000 1.126 427 R CA 1.400 57.223 56.100 -0.462 0.000 0.963 427 R CB 0.158 30.014 30.300 -0.740 0.000 0.858 427 R HN 0.549 nan 8.270 nan 0.000 0.435 428 E N 0.820 120.998 120.200 -0.036 0.000 2.266 428 E HA 0.063 4.413 4.350 -0.000 0.000 0.277 428 E C -0.694 175.960 176.600 0.089 0.000 1.018 428 E CA -0.238 56.243 56.400 0.136 0.000 0.840 428 E CB 1.047 30.823 29.700 0.126 0.000 1.082 428 E HN 0.115 nan 8.360 nan 0.000 0.395 429 D N 1.545 122.022 120.400 0.129 0.000 2.810 429 D HA -0.228 4.412 4.640 -0.000 0.000 0.224 429 D C -1.093 175.227 176.300 0.033 0.000 1.222 429 D CA 0.918 54.969 54.000 0.086 0.000 0.698 429 D CB -0.581 40.276 40.800 0.094 0.000 0.961 429 D HN 0.381 nan 8.370 nan 0.000 0.403 430 D N -0.214 120.194 120.400 0.013 0.000 2.531 430 D HA 0.503 5.143 4.640 -0.000 0.000 0.244 430 D C -0.129 176.146 176.300 -0.041 0.000 1.090 430 D CA -0.713 53.276 54.000 -0.018 0.000 0.989 430 D CB 1.113 41.895 40.800 -0.029 0.000 1.433 430 D HN 0.163 nan 8.370 nan 0.000 0.492 431 I N 1.466 122.014 120.570 -0.038 0.000 2.342 431 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 431 I C 0.592 176.694 176.117 -0.026 0.000 1.010 431 I CA -0.821 60.449 61.300 -0.050 0.000 1.308 431 I CB 1.413 39.392 38.000 -0.035 0.000 1.400 431 I HN 0.393 nan 8.210 nan 0.000 0.488 432 A N 7.047 129.848 122.820 -0.032 0.000 2.511 432 A HA 0.131 4.451 4.320 -0.000 0.000 0.242 432 A C 1.110 178.698 177.584 0.007 0.000 1.069 432 A CA -0.019 52.019 52.037 0.002 0.000 0.763 432 A CB 0.370 19.375 19.000 0.010 0.000 1.001 432 A HN 0.734 nan 8.150 nan 0.000 0.498 433 K N 0.828 121.236 120.400 0.015 0.000 2.067 433 K HA 0.175 4.495 4.320 -0.000 0.000 0.203 433 K C -0.034 176.534 176.600 -0.054 0.000 1.048 433 K CA 1.117 57.392 56.287 -0.021 0.000 0.954 433 K CB 0.059 32.541 32.500 -0.032 0.000 0.737 433 K HN 0.514 nan 8.250 nan 0.000 0.444 434 V N 0.543 120.446 119.914 -0.019 0.000 2.733 434 V HA 0.277 4.397 4.120 -0.000 0.000 0.306 434 V C -0.663 175.605 176.094 0.289 0.000 1.084 434 V CA -0.796 61.543 62.300 0.065 0.000 0.905 434 V CB 2.131 33.893 31.823 -0.103 0.000 1.010 434 V HN 0.161 nan 8.190 nan 0.000 0.424 435 T N 3.418 118.135 114.554 0.271 0.000 2.903 435 T HA 0.795 5.145 4.350 -0.000 0.000 0.299 435 T C -0.841 173.934 174.700 0.124 0.000 1.093 435 T CA -0.090 62.129 62.100 0.198 0.000 1.002 435 T CB 1.353 70.261 68.868 0.066 0.000 1.127 435 T HN 1.308 nan 8.240 nan 0.000 0.488 436 C N 0.897 120.163 119.300 -0.056 0.000 3.332 436 C HA 1.035 5.495 4.460 -0.000 0.000 0.329 436 C C -0.043 174.740 174.990 -0.345 0.000 1.434 436 C CA -0.488 58.381 59.018 -0.248 0.000 1.314 436 C CB 0.927 28.399 27.740 -0.447 0.000 1.664 436 C HN 1.210 nan 8.230 nan 0.000 0.457 437 G N 1.145 109.695 108.800 -0.416 0.000 2.739 437 G HA2 0.681 4.641 3.960 -0.000 0.000 0.291 437 G HA3 0.681 4.641 3.960 -0.000 0.000 0.291 437 G C -1.269 173.220 174.900 -0.685 0.000 1.478 437 G CA -0.561 44.261 45.100 -0.463 0.000 1.062 437 G HN 0.849 nan 8.290 nan 0.000 0.532 438 M N 2.170 121.059 119.600 -1.186 0.000 2.326 438 M HA 0.564 5.044 4.480 -0.000 0.000 0.306 438 M C -0.313 175.264 176.300 -1.205 0.000 1.054 438 M CA -0.769 53.826 55.300 -1.175 0.000 0.922 438 M CB 3.302 34.942 32.600 -1.599 0.000 1.632 438 M HN 0.508 nan 8.290 nan 0.000 0.436 439 R N 1.747 121.976 120.500 -0.453 0.000 2.744 439 R HA 0.893 5.233 4.340 -0.000 0.000 0.279 439 R C -2.163 174.256 176.300 0.199 0.000 0.977 439 R CA -0.740 55.385 56.100 0.042 0.000 0.906 439 R CB 2.676 33.131 30.300 0.259 0.000 1.197 439 R HN 0.628 nan 8.270 nan 0.000 0.463 440 V N 4.995 125.027 119.914 0.196 0.000 2.851 440 V HA 0.553 4.672 4.120 -0.000 0.000 0.307 440 V C -1.969 173.975 176.094 -0.250 0.000 1.129 440 V CA -0.806 61.450 62.300 -0.072 0.000 0.932 440 V CB 1.988 33.627 31.823 -0.306 0.000 1.024 440 V HN 0.702 nan 8.190 nan 0.000 0.426 441 L N 7.087 128.110 121.223 -0.334 0.000 2.376 441 L HA 0.744 5.084 4.340 -0.000 0.000 0.275 441 L C -1.262 175.413 176.870 -0.325 0.000 0.987 441 L CA 0.080 54.767 54.840 -0.255 0.000 0.828 441 L CB 1.409 43.394 42.059 -0.124 0.000 1.249 441 L HN 0.566 nan 8.230 nan 0.000 0.409 442 F N 2.099 122.019 119.950 -0.051 0.000 2.411 442 F HA 0.541 5.068 4.527 -0.000 0.000 0.324 442 F C 0.764 176.540 175.800 -0.042 0.000 1.086 442 F CA -0.579 57.398 58.000 -0.039 0.000 1.028 442 F CB 0.741 39.727 39.000 -0.023 0.000 1.284 442 F HN 0.392 nan 8.300 nan 0.000 0.501 443 Q N 1.104 121.008 119.800 0.173 0.000 2.454 443 Q HA 0.164 4.503 4.340 -0.000 0.000 0.247 443 Q C -2.316 173.738 176.000 0.089 0.000 1.028 443 Q CA -1.729 54.125 55.803 0.086 0.000 0.910 443 Q CB -0.029 28.744 28.738 0.058 0.000 1.276 443 Q HN 0.170 nan 8.270 nan 0.000 0.489 444 P HA -0.072 nan 4.420 nan 0.000 0.258 444 P C 0.344 177.671 177.300 0.045 0.000 1.172 444 P CA 1.257 64.380 63.100 0.040 0.000 0.762 444 P CB 0.074 31.789 31.700 0.025 0.000 0.764 445 G N 2.287 111.109 108.800 0.037 0.000 2.233 445 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.270 445 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.270 445 G C 0.324 175.242 174.900 0.029 0.000 1.011 445 G CA 0.559 45.675 45.100 0.028 0.000 0.762 445 G HN 0.796 nan 8.290 nan 0.000 0.511 446 S N -1.962 113.758 115.700 0.035 0.000 2.810 446 S HA 0.808 5.278 4.470 -0.000 0.000 0.315 446 S C 0.556 175.099 174.600 -0.095 0.000 1.138 446 S CA -0.499 57.727 58.200 0.043 0.000 0.889 446 S CB 1.518 64.794 63.200 0.126 0.000 1.236 446 S HN 0.229 nan 8.310 nan 0.000 0.548 447 M N 0.705 120.287 119.600 -0.029 0.000 2.673 447 M HA 0.314 4.794 4.480 -0.000 0.000 0.334 447 M C 0.087 176.442 176.300 0.091 0.000 1.211 447 M CA -0.031 55.119 55.300 -0.250 0.000 0.962 447 M CB 0.404 33.016 32.600 0.019 0.000 1.343 447 M HN 0.709 nan 8.290 nan 0.000 0.511 448 Q N 1.864 121.669 119.800 0.007 0.000 2.331 448 Q HA 0.333 4.672 4.340 -0.000 0.000 0.257 448 Q C -0.750 175.344 176.000 0.156 0.000 0.957 448 Q CA -0.411 55.159 55.803 -0.389 0.000 0.923 448 Q CB 1.380 29.691 28.738 -0.711 0.000 1.212 448 Q HN 0.142 nan 8.270 nan 0.000 0.443 449 V N 5.720 125.719 119.914 0.142 0.000 2.458 449 V HA -0.075 4.045 4.120 -0.000 0.000 0.287 449 V C 1.103 177.171 176.094 -0.043 0.000 1.009 449 V CA 0.732 63.038 62.300 0.009 0.000 1.091 449 V CB 0.698 32.589 31.823 0.114 0.000 0.960 449 V HN 0.870 nan 8.190 nan 0.000 0.476 450 K N 3.753 124.103 120.400 -0.084 0.000 2.190 450 K HA 0.213 4.533 4.320 -0.000 0.000 0.202 450 K C 0.503 177.077 176.600 -0.042 0.000 1.045 450 K CA 0.472 56.732 56.287 -0.045 0.000 0.976 450 K CB 0.525 33.005 32.500 -0.032 0.000 0.849 450 K HN 0.780 nan 8.250 nan 0.000 0.468 451 E N 0.364 120.518 120.200 -0.077 0.000 2.293 451 E HA 0.368 4.718 4.350 -0.000 0.000 0.270 451 E C -1.977 174.605 176.600 -0.030 0.000 0.879 451 E CA -0.765 55.612 56.400 -0.037 0.000 0.756 451 E CB 2.367 32.050 29.700 -0.029 0.000 1.208 451 E HN -0.017 nan 8.360 nan 0.000 0.428 452 L N 2.104 123.348 121.223 0.036 0.000 2.528 452 L HA 0.695 5.035 4.340 -0.000 0.000 0.267 452 L C -1.907 175.021 176.870 0.096 0.000 0.961 452 L CA -0.253 54.652 54.840 0.109 0.000 0.866 452 L CB 1.727 43.897 42.059 0.186 0.000 1.248 452 L HN 0.606 nan 8.230 nan 0.000 0.404 453 A N 6.100 128.972 122.820 0.086 0.000 2.335 453 A HA 0.830 5.150 4.320 -0.000 0.000 0.304 453 A C -1.565 176.005 177.584 -0.024 0.000 1.118 453 A CA -0.374 51.689 52.037 0.044 0.000 0.757 453 A CB 0.983 20.013 19.000 0.050 0.000 1.188 453 A HN 0.627 nan 8.150 nan 0.000 0.460 454 L N 2.575 123.794 121.223 -0.006 0.000 2.353 454 L HA 0.374 4.714 4.340 -0.000 0.000 0.270 454 L C -0.999 175.832 176.870 -0.065 0.000 1.003 454 L CA -0.409 54.379 54.840 -0.088 0.000 0.862 454 L CB 1.271 43.382 42.059 0.088 0.000 1.221 454 L HN 0.671 nan 8.230 nan 0.000 0.430 455 C N 2.237 121.417 119.300 -0.199 0.000 2.329 455 C HA 0.674 5.134 4.460 -0.000 0.000 0.329 455 C C -0.237 174.628 174.990 -0.209 0.000 1.275 455 C CA -0.794 58.184 59.018 -0.066 0.000 1.726 455 C CB 0.291 28.036 27.740 0.008 0.000 2.291 455 C HN 0.489 nan 8.230 nan 0.000 0.514 456 Y N 0.601 120.915 120.300 0.023 0.000 2.524 456 Y HA 0.699 5.249 4.550 -0.000 0.000 0.344 456 Y C 0.680 176.581 175.900 0.002 0.000 1.012 456 Y CA -0.279 57.836 58.100 0.026 0.000 1.068 456 Y CB 1.666 40.145 38.460 0.032 0.000 1.249 456 Y HN 0.830 nan 8.280 nan 0.000 0.468 457 G N -0.814 108.088 108.800 0.169 0.000 2.481 457 G HA2 0.475 4.435 3.960 -0.000 0.000 0.315 457 G HA3 0.475 4.435 3.960 -0.000 0.000 0.315 457 G C 0.406 175.350 174.900 0.073 0.000 1.231 457 G CA -0.580 44.559 45.100 0.065 0.000 0.968 457 G HN 1.261 nan 8.290 nan 0.000 0.482 458 G N 0.158 108.973 108.800 0.025 0.000 2.148 458 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 458 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 458 G C 0.886 175.775 174.900 -0.019 0.000 0.981 458 G CA 0.837 45.939 45.100 0.003 0.000 0.670 458 G HN 0.540 nan 8.290 nan 0.000 0.528 459 M N -0.479 119.115 119.600 -0.010 0.000 2.306 459 M HA 0.637 5.117 4.480 -0.000 0.000 0.292 459 M C 0.817 177.096 176.300 -0.034 0.000 1.018 459 M CA 0.787 56.056 55.300 -0.051 0.000 1.007 459 M CB 0.305 32.846 32.600 -0.098 0.000 1.510 459 M HN 1.117 nan 8.290 nan 0.000 0.537 460 A N 0.512 123.329 122.820 -0.006 0.000 2.536 460 A HA 0.502 4.822 4.320 -0.000 0.000 0.293 460 A C -0.714 176.889 177.584 0.032 0.000 1.119 460 A CA -0.399 51.643 52.037 0.008 0.000 0.654 460 A CB 0.220 19.233 19.000 0.022 0.000 1.291 460 A HN 0.247 nan 8.150 nan 0.000 0.439 461 D N -0.237 120.195 120.400 0.054 0.000 2.332 461 D HA 0.203 4.843 4.640 -0.000 0.000 0.244 461 D C 0.427 176.838 176.300 0.184 0.000 1.136 461 D CA 0.444 54.525 54.000 0.134 0.000 0.884 461 D CB -0.426 40.434 40.800 0.100 0.000 0.906 461 D HN 0.720 nan 8.370 nan 0.000 0.520 462 R N -3.578 116.967 120.500 0.076 0.000 2.741 462 R HA 0.439 4.779 4.340 -0.000 0.000 0.276 462 R C -1.251 175.018 176.300 -0.052 0.000 1.028 462 R CA -0.969 55.130 56.100 -0.002 0.000 0.865 462 R CB -0.169 30.166 30.300 0.058 0.000 1.268 462 R HN -0.219 nan 8.270 nan 0.000 0.475 463 T N 2.347 116.778 114.554 -0.205 0.000 2.834 463 T HA 0.386 4.736 4.350 -0.000 0.000 0.298 463 T C 0.405 175.135 174.700 0.051 0.000 0.966 463 T CA -0.097 61.922 62.100 -0.135 0.000 1.141 463 T CB -0.142 68.525 68.868 -0.334 0.000 0.905 463 T HN 0.434 nan 8.240 nan 0.000 0.535 464 I N -0.566 120.070 120.570 0.110 0.000 3.002 464 I HA 0.850 5.020 4.170 -0.000 0.000 0.310 464 I C -0.377 175.850 176.117 0.184 0.000 1.087 464 I CA -1.039 60.356 61.300 0.159 0.000 1.017 464 I CB 2.475 40.547 38.000 0.121 0.000 1.226 464 I HN 0.477 nan 8.210 nan 0.000 0.443 465 S N 2.408 118.210 115.700 0.168 0.000 2.502 465 S HA 0.720 5.189 4.470 -0.000 0.000 0.304 465 S C 0.055 174.710 174.600 0.092 0.000 1.097 465 S CA -0.440 57.841 58.200 0.136 0.000 1.045 465 S CB 1.530 64.796 63.200 0.109 0.000 1.019 465 S HN 0.958 nan 8.310 nan 0.000 0.481 466 A N 6.045 128.936 122.820 0.119 0.000 3.029 466 A HA 0.317 4.637 4.320 -0.000 0.000 0.251 466 A C 1.307 178.898 177.584 0.013 0.000 1.749 466 A CA -0.253 51.822 52.037 0.063 0.000 1.386 466 A CB -1.005 18.052 19.000 0.095 0.000 1.043 466 A HN 0.958 nan 8.150 nan 0.000 0.638 467 L N -0.128 121.079 121.223 -0.026 0.000 2.043 467 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 467 L C 2.648 179.493 176.870 -0.042 0.000 1.075 467 L CA 2.052 56.855 54.840 -0.062 0.000 0.752 467 L CB -0.302 41.660 42.059 -0.160 0.000 0.891 467 L HN 0.702 nan 8.230 nan 0.000 0.432 468 K N -0.518 119.860 120.400 -0.037 0.000 2.057 468 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 468 K C 1.969 178.553 176.600 -0.027 0.000 1.049 468 K CA 1.890 58.160 56.287 -0.028 0.000 0.931 468 K CB -0.012 32.473 32.500 -0.026 0.000 0.714 468 K HN 0.234 nan 8.250 nan 0.000 0.440 469 T N 0.205 114.739 114.554 -0.034 0.000 2.770 469 T HA -0.115 4.234 4.350 -0.000 0.000 0.263 469 T C 1.895 176.573 174.700 -0.036 0.000 1.039 469 T CA 1.888 63.959 62.100 -0.050 0.000 1.142 469 T CB -0.456 68.365 68.868 -0.078 0.000 0.868 469 T HN 0.567 nan 8.240 nan 0.000 0.435 470 T N 0.849 115.395 114.554 -0.014 0.000 2.867 470 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 470 T C 1.955 176.670 174.700 0.025 0.000 1.057 470 T CA 0.970 63.082 62.100 0.021 0.000 1.136 470 T CB -0.361 68.535 68.868 0.046 0.000 0.874 470 T HN 0.209 nan 8.240 nan 0.000 0.466 471 Q N 1.670 121.474 119.800 0.007 0.000 2.084 471 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 471 Q C 2.070 178.080 176.000 0.016 0.000 0.978 471 Q CA 1.519 57.327 55.803 0.009 0.000 0.844 471 Q CB -0.239 28.497 28.738 -0.003 0.000 0.898 471 Q HN 0.591 nan 8.270 nan 0.000 0.426 472 K N -0.153 120.253 120.400 0.010 0.000 2.442 472 K HA -0.098 4.222 4.320 -0.000 0.000 0.198 472 K C 1.624 178.242 176.600 0.030 0.000 1.044 472 K CA 0.655 56.951 56.287 0.014 0.000 0.948 472 K CB 0.231 32.732 32.500 0.001 0.000 0.762 472 K HN 0.201 nan 8.250 nan 0.000 0.472 473 Q N 0.190 120.015 119.800 0.041 0.000 2.282 473 Q HA 0.160 4.500 4.340 -0.000 0.000 0.206 473 Q C 0.184 176.235 176.000 0.085 0.000 0.878 473 Q CA 0.106 55.952 55.803 0.072 0.000 0.944 473 Q CB 0.429 29.220 28.738 0.088 0.000 1.100 473 Q HN 0.307 nan 8.270 nan 0.000 0.509 474 L N 2.038 123.296 121.223 0.058 0.000 2.513 474 L HA -0.036 4.304 4.340 -0.000 0.000 0.272 474 L C 1.052 177.943 176.870 0.035 0.000 1.187 474 L CA 0.694 55.559 54.840 0.042 0.000 0.895 474 L CB 0.166 42.243 42.059 0.029 0.000 1.147 474 L HN 0.362 nan 8.230 nan 0.000 0.483 475 S N 0.747 116.451 115.700 0.005 0.000 2.857 475 S HA -0.182 4.288 4.470 -0.000 0.000 0.268 475 S C 0.202 174.772 174.600 -0.049 0.000 1.297 475 S CA 1.152 59.333 58.200 -0.032 0.000 1.280 475 S CB -0.978 62.234 63.200 0.019 0.000 1.562 475 S HN 0.684 nan 8.310 nan 0.000 0.661 476 K N 0.533 120.948 120.400 0.024 0.000 2.179 476 K HA 0.835 5.155 4.320 -0.000 0.000 0.238 476 K C -0.133 176.506 176.600 0.065 0.000 1.033 476 K CA -0.454 55.918 56.287 0.143 0.000 0.926 476 K CB 0.120 32.726 32.500 0.176 0.000 1.151 476 K HN 0.248 nan 8.250 nan 0.000 0.492 477 F N -0.086 120.008 119.950 0.241 0.000 2.492 477 F HA 0.266 4.793 4.527 -0.000 0.000 0.327 477 F C 0.008 176.047 175.800 0.398 0.000 1.079 477 F CA -0.702 57.489 58.000 0.317 0.000 0.967 477 F CB 0.959 40.083 39.000 0.207 0.000 1.169 477 F HN 0.347 nan 8.300 nan 0.000 0.472 478 W N 6.055 127.614 121.300 0.431 0.000 2.688 478 W HA 0.093 4.752 4.660 -0.000 0.000 0.402 478 W C -0.793 175.946 176.519 0.368 0.000 1.188 478 W CA 0.173 57.767 57.345 0.416 0.000 1.561 478 W CB -0.232 29.398 29.460 0.285 0.000 1.653 478 W HN 0.754 nan 8.180 nan 0.000 0.442 479 N N 0.615 119.496 118.700 0.302 0.000 2.972 479 N HA 0.099 4.839 4.740 -0.000 0.000 0.262 479 N C 0.389 175.998 175.510 0.165 0.000 1.478 479 N CA -0.601 52.612 53.050 0.271 0.000 0.841 479 N CB 0.471 39.079 38.487 0.202 0.000 1.512 479 N HN -0.011 nan 8.380 nan 0.000 0.548 480 E N 0.029 120.317 120.200 0.146 0.000 2.085 480 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 480 E C 1.337 177.906 176.600 -0.052 0.000 0.994 480 E CA 1.660 58.078 56.400 0.030 0.000 0.801 480 E CB -0.034 29.709 29.700 0.072 0.000 0.743 480 E HN 0.557 nan 8.360 nan 0.000 0.453 481 K N 0.363 120.761 120.400 -0.004 0.000 2.097 481 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 481 K C 2.162 178.739 176.600 -0.040 0.000 1.049 481 K CA 1.417 57.697 56.287 -0.011 0.000 0.933 481 K CB -0.662 31.853 32.500 0.025 0.000 0.717 481 K HN 0.345 nan 8.250 nan 0.000 0.442 482 L N 0.071 121.266 121.223 -0.047 0.000 2.093 482 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 482 L C 2.070 178.836 176.870 -0.173 0.000 1.085 482 L CA 1.029 55.822 54.840 -0.079 0.000 0.755 482 L CB -0.320 41.711 42.059 -0.048 0.000 0.904 482 L HN 0.293 nan 8.230 nan 0.000 0.435 483 L N -0.026 121.003 121.223 -0.323 0.000 2.046 483 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 483 L C 2.441 179.247 176.870 -0.106 0.000 1.077 483 L CA 1.873 56.517 54.840 -0.326 0.000 0.747 483 L CB -0.631 40.990 42.059 -0.730 0.000 0.896 483 L HN 0.382 nan 8.230 nan 0.000 0.432 484 Q N -0.759 118.975 119.800 -0.111 0.000 2.119 484 Q HA -0.170 4.170 4.340 -0.000 0.000 0.201 484 Q C 1.769 177.726 176.000 -0.072 0.000 0.972 484 Q CA 1.538 57.297 55.803 -0.075 0.000 0.847 484 Q CB -0.217 28.479 28.738 -0.070 0.000 0.903 484 Q HN 0.551 nan 8.270 nan 0.000 0.433 485 D N 0.160 120.513 120.400 -0.079 0.000 2.149 485 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 485 D C 2.013 178.243 176.300 -0.115 0.000 0.972 485 D CA 0.769 54.724 54.000 -0.076 0.000 0.835 485 D CB -0.013 40.755 40.800 -0.053 0.000 0.966 485 D HN 0.032 nan 8.370 nan 0.000 0.476 486 V N 0.667 120.472 119.914 -0.183 0.000 2.307 486 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 486 V C 2.690 178.626 176.094 -0.263 0.000 1.045 486 V CA 1.231 63.330 62.300 -0.336 0.000 1.024 486 V CB -0.484 30.868 31.823 -0.786 0.000 0.651 486 V HN 0.277 nan 8.190 nan 0.000 0.449 487 C N 0.316 119.530 119.300 -0.144 0.000 2.413 487 C HA -0.121 4.339 4.460 -0.000 0.000 0.276 487 C C 3.088 178.048 174.990 -0.049 0.000 1.248 487 C CA 0.877 59.876 59.018 -0.031 0.000 1.742 487 C CB -1.373 26.427 27.740 0.100 0.000 2.017 487 C HN 0.636 nan 8.230 nan 0.000 0.481 488 A N 0.646 123.430 122.820 -0.061 0.000 1.930 488 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 488 A C 2.394 179.939 177.584 -0.066 0.000 1.175 488 A CA 2.000 54.003 52.037 -0.057 0.000 0.627 488 A CB -1.153 17.816 19.000 -0.053 0.000 0.815 488 A HN 0.546 nan 8.150 nan 0.000 0.443 489 G N -0.129 108.621 108.800 -0.084 0.000 2.404 489 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 489 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 489 G C 1.563 176.408 174.900 -0.092 0.000 1.174 489 G CA 0.981 46.031 45.100 -0.083 0.000 0.780 489 G HN 0.414 nan 8.290 nan 0.000 0.537 490 L N 0.781 121.935 121.223 -0.116 0.000 2.012 490 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 490 L C 3.413 180.211 176.870 -0.121 0.000 1.073 490 L CA 1.095 55.857 54.840 -0.130 0.000 0.748 490 L CB -0.440 41.535 42.059 -0.141 0.000 0.891 490 L HN 0.306 nan 8.230 nan 0.000 0.431 491 A N -0.487 122.278 122.820 -0.092 0.000 2.024 491 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 491 A C 2.265 179.806 177.584 -0.071 0.000 1.164 491 A CA 2.082 54.073 52.037 -0.077 0.000 0.643 491 A CB -0.418 18.551 19.000 -0.052 0.000 0.806 491 A HN 0.556 nan 8.150 nan 0.000 0.451 492 E N -0.749 119.411 120.200 -0.066 0.000 2.075 492 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 492 E C 2.014 178.580 176.600 -0.056 0.000 0.969 492 E CA 0.779 57.147 56.400 -0.054 0.000 0.815 492 E CB -0.179 29.494 29.700 -0.044 0.000 0.776 492 E HN 0.700 nan 8.360 nan 0.000 0.457 493 E N 0.313 120.474 120.200 -0.065 0.000 2.107 493 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 493 E C 0.641 177.197 176.600 -0.074 0.000 0.982 493 E CA 0.447 56.811 56.400 -0.060 0.000 0.809 493 E CB 0.162 29.828 29.700 -0.056 0.000 0.756 493 E HN 0.257 nan 8.360 nan 0.000 0.459 494 L N 2.839 123.994 121.223 -0.112 0.000 2.719 494 L HA 0.213 4.553 4.340 -0.000 0.000 0.236 494 L C 0.154 176.951 176.870 -0.120 0.000 1.285 494 L CA -0.717 54.037 54.840 -0.143 0.000 1.222 494 L CB 0.199 42.104 42.059 -0.257 0.000 1.493 494 L HN 0.056 nan 8.230 nan 0.000 0.415 495 S N 0.952 116.602 115.700 -0.082 0.000 2.617 495 S HA 0.737 5.207 4.470 -0.000 0.000 0.269 495 S C -0.378 174.184 174.600 -0.063 0.000 1.292 495 S CA -0.618 57.542 58.200 -0.066 0.000 1.010 495 S CB 1.856 65.028 63.200 -0.047 0.000 0.944 495 S HN 0.340 nan 8.310 nan 0.000 0.536 496 L N 1.378 122.568 121.223 -0.055 0.000 2.464 496 L HA 0.432 4.772 4.340 -0.000 0.000 0.266 496 L C -0.246 176.602 176.870 -0.036 0.000 0.965 496 L CA -0.636 54.175 54.840 -0.049 0.000 0.833 496 L CB 2.491 44.515 42.059 -0.057 0.000 1.296 496 L HN 0.691 nan 8.230 nan 0.000 0.405 497 S N 2.400 118.082 115.700 -0.031 0.000 2.601 497 S HA 0.229 4.699 4.470 -0.000 0.000 0.271 497 S C -1.715 172.872 174.600 -0.021 0.000 1.305 497 S CA -0.964 57.222 58.200 -0.023 0.000 1.022 497 S CB 1.366 64.553 63.200 -0.021 0.000 0.940 497 S HN 0.457 nan 8.310 nan 0.000 0.525 498 P HA -0.136 nan 4.420 nan 0.000 0.220 498 P C 0.552 177.845 177.300 -0.011 0.000 1.144 498 P CA 1.064 64.158 63.100 -0.010 0.000 0.800 498 P CB -0.005 31.691 31.700 -0.006 0.000 0.772 499 D N -1.937 118.455 120.400 -0.014 0.000 2.463 499 D HA 0.150 4.790 4.640 -0.000 0.000 0.224 499 D C 0.233 176.517 176.300 -0.027 0.000 1.174 499 D CA -0.430 53.561 54.000 -0.015 0.000 0.829 499 D CB -0.301 40.493 40.800 -0.010 0.000 0.993 499 D HN -0.039 nan 8.370 nan 0.000 0.497 500 A N 1.689 124.490 122.820 -0.033 0.000 2.540 500 A HA 0.335 4.655 4.320 -0.000 0.000 0.239 500 A C -2.208 175.341 177.584 -0.058 0.000 1.061 500 A CA -0.728 51.282 52.037 -0.045 0.000 0.758 500 A CB -0.255 18.717 19.000 -0.046 0.000 0.991 500 A HN 0.068 nan 8.150 nan 0.000 0.502 501 P HA 0.343 nan 4.420 nan 0.000 0.267 501 P C 1.043 178.280 177.300 -0.105 0.000 1.205 501 P CA 1.556 64.600 63.100 -0.094 0.000 0.765 501 P CB 0.856 32.501 31.700 -0.091 0.000 0.828 502 G N 2.040 110.750 108.800 -0.151 0.000 2.232 502 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.226 502 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.226 502 G C 0.695 175.509 174.900 -0.143 0.000 0.996 502 G CA 0.163 45.170 45.100 -0.155 0.000 0.626 502 G HN 0.979 nan 8.290 nan 0.000 0.509 503 G N 0.347 109.087 108.800 -0.102 0.000 2.564 503 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.273 503 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.273 503 G C 0.807 175.683 174.900 -0.039 0.000 1.242 503 G CA 1.008 46.066 45.100 -0.070 0.000 0.951 503 G HN 1.824 nan 8.290 nan 0.000 0.564 504 M N -1.475 118.121 119.600 -0.007 0.000 2.206 504 M HA -0.219 4.261 4.480 -0.000 0.000 0.197 504 M C 1.373 177.709 176.300 0.060 0.000 0.375 504 M CA 0.708 56.051 55.300 0.071 0.000 0.410 504 M CB -1.585 31.107 32.600 0.153 0.000 1.204 504 M HN 0.510 nan 8.290 nan 0.000 0.932 505 I N 0.618 121.200 120.570 0.020 0.000 2.099 505 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 505 I C 2.308 178.425 176.117 0.000 0.000 1.066 505 I CA 2.280 63.576 61.300 -0.007 0.000 1.324 505 I CB -0.342 37.651 38.000 -0.012 0.000 1.037 505 I HN 0.421 nan 8.210 nan 0.000 0.401 506 E N -0.429 119.791 120.200 0.034 0.000 2.058 506 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 506 E C 2.233 178.882 176.600 0.081 0.000 0.997 506 E CA 1.559 57.985 56.400 0.043 0.000 0.801 506 E CB -0.464 29.269 29.700 0.055 0.000 0.746 506 E HN 0.405 nan 8.360 nan 0.000 0.450 507 F N 2.253 122.170 119.950 -0.054 0.000 2.095 507 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 507 F C 2.211 177.947 175.800 -0.106 0.000 1.104 507 F CA 1.596 59.555 58.000 -0.067 0.000 1.232 507 F CB -0.206 38.763 39.000 -0.052 0.000 0.987 507 F HN -0.194 nan 8.300 nan 0.000 0.475 508 R N -0.068 120.268 120.500 -0.273 0.000 2.073 508 R HA -0.131 4.208 4.340 -0.000 0.000 0.234 508 R C 2.388 178.489 176.300 -0.332 0.000 1.134 508 R CA 1.713 57.566 56.100 -0.412 0.000 0.952 508 R CB -0.391 29.766 30.300 -0.237 0.000 0.850 508 R HN 0.284 nan 8.270 nan 0.000 0.433 509 R N -0.399 119.977 120.500 -0.208 0.000 2.081 509 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 509 R C 2.281 178.466 176.300 -0.191 0.000 1.131 509 R CA 1.809 57.797 56.100 -0.188 0.000 0.960 509 R CB -0.384 29.847 30.300 -0.115 0.000 0.856 509 R HN 0.177 nan 8.270 nan 0.000 0.436 510 T N 1.380 115.842 114.554 -0.154 0.000 2.788 510 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 510 T C 1.771 176.313 174.700 -0.263 0.000 1.044 510 T CA 0.942 62.969 62.100 -0.121 0.000 1.139 510 T CB -0.076 68.786 68.868 -0.009 0.000 0.867 510 T HN 0.135 nan 8.240 nan 0.000 0.454 511 L N 1.247 122.199 121.223 -0.453 0.000 2.093 511 L HA -0.111 4.228 4.340 -0.000 0.000 0.208 511 L C 3.098 179.560 176.870 -0.680 0.000 1.085 511 L CA 1.613 56.003 54.840 -0.750 0.000 0.755 511 L CB -1.070 40.375 42.059 -1.022 0.000 0.904 511 L HN 0.468 nan 8.230 nan 0.000 0.435 512 T N -1.906 112.409 114.554 -0.400 0.000 2.788 512 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 512 T C 1.791 176.496 174.700 0.009 0.000 1.044 512 T CA 1.020 63.008 62.100 -0.186 0.000 1.139 512 T CB -0.424 68.134 68.868 -0.516 0.000 0.867 512 T HN 0.243 nan 8.240 nan 0.000 0.454 513 L N 0.679 121.842 121.223 -0.100 0.000 2.131 513 L HA 0.057 4.397 4.340 -0.000 0.000 0.206 513 L C 3.110 179.866 176.870 -0.191 0.000 1.087 513 L CA 0.992 55.810 54.840 -0.037 0.000 0.767 513 L CB -0.814 41.237 42.059 -0.014 0.000 0.917 513 L HN 0.306 nan 8.230 nan 0.000 0.441 514 S N 0.025 115.517 115.700 -0.347 0.000 2.368 514 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 514 S C 1.907 176.433 174.600 -0.123 0.000 1.030 514 S CA 1.245 59.182 58.200 -0.438 0.000 0.999 514 S CB -0.307 62.670 63.200 -0.372 0.000 0.844 514 S HN 0.294 nan 8.310 nan 0.000 0.459 515 F N 0.109 119.977 119.950 -0.136 0.000 2.134 515 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 515 F C 2.173 178.028 175.800 0.092 0.000 1.097 515 F CA 0.765 58.688 58.000 -0.127 0.000 1.264 515 F CB -0.260 38.824 39.000 0.139 0.000 1.001 515 F HN 0.217 nan 8.300 nan 0.000 0.479 516 F N 0.289 120.428 119.950 0.316 0.000 2.186 516 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 516 F C 2.095 178.112 175.800 0.361 0.000 1.090 516 F CA 1.003 59.229 58.000 0.378 0.000 1.307 516 F CB -0.749 38.434 39.000 0.305 0.000 1.019 516 F HN -0.070 nan 8.300 nan 0.000 0.489 517 F N 1.612 121.479 119.950 -0.137 0.000 2.126 517 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 517 F C 2.209 177.891 175.800 -0.196 0.000 1.096 517 F CA 1.825 59.666 58.000 -0.265 0.000 1.255 517 F CB -0.704 37.905 39.000 -0.652 0.000 0.997 517 F HN -0.108 nan 8.300 nan 0.000 0.479 518 K N -0.996 119.229 120.400 -0.291 0.000 2.097 518 K HA -0.191 4.128 4.320 -0.000 0.000 0.205 518 K C 2.127 178.724 176.600 -0.005 0.000 1.050 518 K CA 1.543 57.630 56.287 -0.333 0.000 0.938 518 K CB -0.710 31.450 32.500 -0.567 0.000 0.718 518 K HN 0.307 nan 8.250 nan 0.000 0.442 519 F N 1.055 121.014 119.950 0.015 0.000 2.134 519 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 519 F C 2.215 178.027 175.800 0.020 0.000 1.097 519 F CA 1.179 59.232 58.000 0.089 0.000 1.264 519 F CB -0.681 38.370 39.000 0.085 0.000 1.001 519 F HN 0.028 nan 8.300 nan 0.000 0.479 520 Y N 0.684 120.761 120.300 -0.372 0.000 2.145 520 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 520 Y C 2.069 177.936 175.900 -0.055 0.000 1.145 520 Y CA 2.114 60.072 58.100 -0.238 0.000 1.148 520 Y CB -0.613 37.557 38.460 -0.483 0.000 0.981 520 Y HN 0.122 nan 8.280 nan 0.000 0.507 521 L N -1.148 119.897 121.223 -0.296 0.000 2.109 521 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 521 L C 2.281 178.997 176.870 -0.256 0.000 1.086 521 L CA 1.647 56.293 54.840 -0.324 0.000 0.760 521 L CB -0.881 40.964 42.059 -0.356 0.000 0.910 521 L HN 0.167 nan 8.230 nan 0.000 0.437 522 T N -0.541 113.893 114.554 -0.201 0.000 2.821 522 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 522 T C 2.004 176.520 174.700 -0.308 0.000 1.046 522 T CA 1.051 63.054 62.100 -0.161 0.000 1.139 522 T CB -0.062 68.799 68.868 -0.011 0.000 0.871 522 T HN 0.053 nan 8.240 nan 0.000 0.454 523 V N 1.270 120.924 119.914 -0.433 0.000 2.379 523 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 523 V C 2.456 178.179 176.094 -0.619 0.000 1.044 523 V CA 1.213 63.106 62.300 -0.679 0.000 1.036 523 V CB -0.576 30.669 31.823 -0.964 0.000 0.664 523 V HN 0.426 nan 8.190 nan 0.000 0.453 524 L N -0.107 120.875 121.223 -0.402 0.000 2.012 524 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 524 L C 2.630 179.322 176.870 -0.296 0.000 1.073 524 L CA 2.076 56.731 54.840 -0.308 0.000 0.748 524 L CB -0.564 41.328 42.059 -0.278 0.000 0.891 524 L HN 0.325 nan 8.230 nan 0.000 0.431 525 K N 0.496 120.734 120.400 -0.269 0.000 2.032 525 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 525 K C 2.114 178.557 176.600 -0.262 0.000 1.048 525 K CA 1.626 57.788 56.287 -0.208 0.000 0.927 525 K CB 0.041 32.447 32.500 -0.156 0.000 0.712 525 K HN 0.208 nan 8.250 nan 0.000 0.441 526 K N 0.427 120.584 120.400 -0.406 0.000 2.148 526 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 526 K C 1.971 178.240 176.600 -0.553 0.000 1.050 526 K CA 0.857 56.830 56.287 -0.523 0.000 0.942 526 K CB -0.015 31.948 32.500 -0.895 0.000 0.724 526 K HN 0.182 nan 8.250 nan 0.000 0.446 527 L N 0.617 121.487 121.223 -0.589 0.000 2.465 527 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 527 L C 1.275 178.012 176.870 -0.221 0.000 1.145 527 L CA -0.030 54.562 54.840 -0.413 0.000 0.834 527 L CB -0.275 41.502 42.059 -0.470 0.000 0.944 527 L HN 0.168 nan 8.230 nan 0.000 0.451 538 L N 1.641 122.842 121.223 -0.038 0.000 2.360 538 L HA 0.341 4.681 4.340 -0.000 0.000 0.271 538 L C -0.378 176.480 176.870 -0.020 0.000 1.057 538 L CA -0.000 54.822 54.840 -0.030 0.000 0.803 538 L CB 1.295 43.350 42.059 -0.007 0.000 1.207 538 L HN 0.585 nan 8.230 nan 0.000 0.445 539 D N 3.393 123.761 120.400 -0.054 0.000 2.450 539 D HA 0.025 4.664 4.640 -0.000 0.000 0.247 539 D C -1.815 174.524 176.300 0.064 0.000 1.162 539 D CA -1.176 52.796 54.000 -0.047 0.000 0.879 539 D CB 1.691 42.368 40.800 -0.204 0.000 1.163 539 D HN 0.296 nan 8.370 nan 0.000 0.472 540 P HA -0.133 nan 4.420 nan 0.000 0.218 540 P C 1.098 178.453 177.300 0.092 0.000 1.146 540 P CA 1.559 64.693 63.100 0.057 0.000 0.813 540 P CB 0.068 31.782 31.700 0.024 0.000 0.778 541 T N -6.190 108.449 114.554 0.142 0.000 3.148 541 T HA -0.028 4.322 4.350 -0.000 0.000 0.253 541 T C 1.159 176.059 174.700 0.335 0.000 1.134 541 T CA 0.612 62.807 62.100 0.159 0.000 1.051 541 T CB -0.729 68.215 68.868 0.126 0.000 0.959 541 T HN 0.022 nan 8.240 nan 0.000 0.525 542 Y N 1.213 121.604 120.300 0.151 0.000 2.462 542 Y HA 0.288 4.838 4.550 -0.000 0.000 0.253 542 Y C 2.606 178.599 175.900 0.155 0.000 1.095 542 Y CA -0.573 57.697 58.100 0.283 0.000 1.283 542 Y CB -0.230 38.393 38.460 0.272 0.000 1.138 542 Y HN 0.198 nan 8.280 nan 0.000 0.522 543 T N -0.243 114.447 114.554 0.227 0.000 2.665 543 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 543 T C 2.144 176.900 174.700 0.093 0.000 1.035 543 T CA 2.154 64.324 62.100 0.117 0.000 1.151 543 T CB -0.572 68.343 68.868 0.077 0.000 0.862 543 T HN 0.502 nan 8.240 nan 0.000 0.438 544 S N 1.985 117.746 115.700 0.101 0.000 2.440 544 S HA 0.002 4.472 4.470 -0.000 0.000 0.238 544 S C 2.322 176.987 174.600 0.108 0.000 1.010 544 S CA 0.872 59.135 58.200 0.104 0.000 0.972 544 S CB -0.589 62.675 63.200 0.106 0.000 0.774 544 S HN 0.547 nan 8.310 nan 0.000 0.501 545 A N 2.006 124.885 122.820 0.098 0.000 2.019 545 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 545 A C 2.408 179.964 177.584 -0.047 0.000 1.164 545 A CA 1.778 53.821 52.037 0.010 0.000 0.644 545 A CB -1.293 17.619 19.000 -0.148 0.000 0.805 545 A HN 0.785 nan 8.150 nan 0.000 0.449 546 T N -2.369 112.178 114.554 -0.012 0.000 3.107 546 T HA 0.413 4.763 4.350 -0.000 0.000 0.249 546 T C 0.382 175.129 174.700 0.078 0.000 1.096 546 T CA -0.241 61.866 62.100 0.012 0.000 1.012 546 T CB -0.482 68.380 68.868 -0.010 0.000 0.977 546 T HN 0.213 nan 8.240 nan 0.000 0.527 547 L N 2.085 123.361 121.223 0.089 0.000 2.305 547 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 547 L C 0.323 177.287 176.870 0.157 0.000 1.085 547 L CA -0.915 53.992 54.840 0.112 0.000 0.813 547 L CB 1.056 43.175 42.059 0.100 0.000 1.157 547 L HN 0.132 nan 8.230 nan 0.000 0.436 548 L N 2.285 123.616 121.223 0.181 0.000 2.453 548 L HA 0.237 4.577 4.340 -0.000 0.000 0.261 548 L C 0.193 177.221 176.870 0.264 0.000 1.179 548 L CA -0.460 54.534 54.840 0.256 0.000 0.813 548 L CB 0.564 42.773 42.059 0.249 0.000 1.110 548 L HN 0.394 nan 8.230 nan 0.000 0.466 549 F N 2.111 122.194 119.950 0.222 0.000 2.635 549 F HA -0.038 4.489 4.527 -0.000 0.000 0.379 549 F C 0.347 176.254 175.800 0.179 0.000 1.094 549 F CA 0.404 58.528 58.000 0.206 0.000 1.300 549 F CB 0.296 39.469 39.000 0.288 0.000 1.035 549 F HN 0.423 nan 8.300 nan 0.000 0.581 550 Q N 4.881 124.267 119.800 -0.689 0.000 2.285 550 Q HA 0.337 4.677 4.340 -0.000 0.000 0.269 550 Q C -1.484 174.029 176.000 -0.812 0.000 1.030 550 Q CA -1.002 54.541 55.803 -0.433 0.000 0.788 550 Q CB 1.449 30.087 28.738 -0.167 0.000 1.266 550 Q HN 0.550 nan 8.270 nan 0.000 0.438 551 K N 1.662 121.785 120.400 -0.461 0.000 2.087 551 K HA 0.419 4.739 4.320 -0.000 0.000 0.255 551 K C -0.981 175.344 176.600 -0.458 0.000 0.988 551 K CA -0.313 55.668 56.287 -0.511 0.000 0.915 551 K CB 0.661 33.148 32.500 -0.021 0.000 1.043 551 K HN 0.689 nan 8.250 nan 0.000 0.457 552 H N 1.053 120.127 119.070 0.007 0.000 2.533 552 H HA 0.386 4.941 4.556 -0.000 0.000 0.343 552 H C -2.062 173.302 175.328 0.060 0.000 1.160 552 H CA -2.485 53.576 56.048 0.021 0.000 1.218 552 H CB 0.346 30.111 29.762 0.006 0.000 1.566 552 H HN 0.440 nan 8.280 nan 0.000 0.522 553 P HA 0.040 nan 4.420 nan 0.000 0.265 553 P C -2.166 175.224 177.300 0.151 0.000 1.193 553 P CA -0.747 62.435 63.100 0.138 0.000 0.765 553 P CB 0.024 31.792 31.700 0.113 0.000 0.823 554 P HA 0.337 nan 4.420 nan 0.000 0.274 554 P C -1.284 176.103 177.300 0.146 0.000 1.256 554 P CA -0.352 62.847 63.100 0.165 0.000 0.795 554 P CB 0.799 32.612 31.700 0.189 0.000 1.038 555 A N 1.296 124.205 122.820 0.148 0.000 2.509 555 A HA 0.457 4.777 4.320 -0.000 0.000 0.282 555 A C -1.156 176.510 177.584 0.136 0.000 1.054 555 A CA -0.669 51.442 52.037 0.123 0.000 0.820 555 A CB 0.422 19.479 19.000 0.095 0.000 1.333 555 A HN 0.515 nan 8.150 nan 0.000 0.409 556 N N 2.372 121.147 118.700 0.126 0.000 2.296 556 N HA 0.626 5.366 4.740 -0.000 0.000 0.294 556 N C -1.221 174.328 175.510 0.065 0.000 1.033 556 N CA -0.412 52.707 53.050 0.114 0.000 0.839 556 N CB 2.097 40.665 38.487 0.134 0.000 1.395 556 N HN 0.437 nan 8.380 nan 0.000 0.479 557 I N 1.828 122.421 120.570 0.038 0.000 2.498 557 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 557 I C -0.502 175.616 176.117 0.002 0.000 1.032 557 I CA -0.635 60.676 61.300 0.018 0.000 1.073 557 I CB 1.789 39.797 38.000 0.013 0.000 1.251 557 I HN 0.307 nan 8.210 nan 0.000 0.426 558 Q N 5.813 125.629 119.800 0.026 0.000 2.330 558 Q HA 0.702 5.042 4.340 -0.000 0.000 0.269 558 Q C -1.132 174.941 176.000 0.121 0.000 1.022 558 Q CA -0.200 55.641 55.803 0.064 0.000 0.796 558 Q CB 2.962 31.759 28.738 0.099 0.000 1.271 558 Q HN 0.481 nan 8.270 nan 0.000 0.450 559 L N 4.558 125.846 121.223 0.108 0.000 2.333 559 L HA 0.734 5.074 4.340 -0.000 0.000 0.280 559 L C -0.864 176.104 176.870 0.163 0.000 1.004 559 L CA -0.870 53.999 54.840 0.049 0.000 0.820 559 L CB 0.578 42.630 42.059 -0.012 0.000 1.247 559 L HN 0.658 nan 8.230 nan 0.000 0.416 560 F N 0.024 119.952 119.950 -0.038 0.000 2.715 560 F HA 0.539 5.066 4.527 -0.000 0.000 0.318 560 F C -0.741 175.042 175.800 -0.028 0.000 1.141 560 F CA -1.118 56.862 58.000 -0.033 0.000 0.950 560 F CB 1.597 40.574 39.000 -0.038 0.000 1.374 560 F HN 0.302 nan 8.300 nan 0.000 0.477 561 Q N 1.599 121.472 119.800 0.122 0.000 2.274 561 Q HA 0.247 4.587 4.340 -0.000 0.000 0.256 561 Q C -0.631 175.394 176.000 0.042 0.000 0.927 561 Q CA -0.678 55.131 55.803 0.009 0.000 0.939 561 Q CB 1.414 30.175 28.738 0.038 0.000 1.201 561 Q HN 0.662 nan 8.270 nan 0.000 0.426 562 E N 2.082 122.240 120.200 -0.070 0.000 2.404 562 E HA 0.103 4.453 4.350 -0.000 0.000 0.261 562 E C -0.875 175.734 176.600 0.015 0.000 1.074 562 E CA -0.340 56.044 56.400 -0.026 0.000 0.917 562 E CB 0.813 30.467 29.700 -0.077 0.000 0.965 562 E HN 0.379 nan 8.360 nan 0.000 0.433 563 V N 1.578 121.511 119.914 0.032 0.000 2.834 563 V HA 0.488 4.608 4.120 -0.000 0.000 0.301 563 V C -2.115 173.979 176.094 0.000 0.000 1.066 563 V CA -1.941 60.368 62.300 0.016 0.000 1.052 563 V CB 0.486 32.317 31.823 0.014 0.000 1.021 563 V HN 0.709 nan 8.190 nan 0.000 0.480 564 P HA -0.006 nan 4.420 nan 0.000 0.261 564 P C 0.653 177.948 177.300 -0.008 0.000 1.165 564 P CA 0.767 63.862 63.100 -0.008 0.000 0.759 564 P CB -0.001 31.694 31.700 -0.008 0.000 0.772 565 N N 2.109 120.804 118.700 -0.009 0.000 2.443 565 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 565 N C 1.592 177.099 175.510 -0.005 0.000 1.037 565 N CA 0.748 53.793 53.050 -0.008 0.000 0.896 565 N CB -0.140 38.341 38.487 -0.010 0.000 0.959 565 N HN 0.548 nan 8.380 nan 0.000 0.442 566 G N -0.327 108.471 108.800 -0.005 0.000 2.986 566 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.213 566 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.213 566 G C 0.365 175.263 174.900 -0.003 0.000 1.156 566 G CA -0.333 44.766 45.100 -0.002 0.000 0.763 566 G HN 0.337 nan 8.290 nan 0.000 0.547 567 Q N 1.322 121.118 119.800 -0.007 0.000 2.315 567 Q HA 0.235 4.575 4.340 -0.000 0.000 0.289 567 Q C 0.585 176.578 176.000 -0.011 0.000 1.044 567 Q CA -0.229 55.566 55.803 -0.013 0.000 0.920 567 Q CB 0.400 29.126 28.738 -0.020 0.000 1.214 567 Q HN 0.183 nan 8.270 nan 0.000 0.392 568 S N 2.312 118.004 115.700 -0.014 0.000 2.563 568 S HA -0.056 4.414 4.470 -0.000 0.000 0.284 568 S C 0.881 175.473 174.600 -0.013 0.000 1.331 568 S CA 0.093 58.286 58.200 -0.011 0.000 1.047 568 S CB 0.718 63.911 63.200 -0.012 0.000 0.859 568 S HN 0.793 nan 8.310 nan 0.000 0.514 569 K N 2.162 122.557 120.400 -0.008 0.000 2.217 569 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 569 K C 1.476 178.069 176.600 -0.012 0.000 1.051 569 K CA 1.097 57.380 56.287 -0.006 0.000 0.952 569 K CB -0.047 32.453 32.500 -0.001 0.000 0.736 569 K HN 0.720 nan 8.250 nan 0.000 0.453 570 E N 0.522 120.711 120.200 -0.019 0.000 2.435 570 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 570 E C -0.127 176.450 176.600 -0.039 0.000 1.029 570 E CA 0.136 56.519 56.400 -0.029 0.000 0.865 570 E CB 0.168 29.846 29.700 -0.036 0.000 0.833 570 E HN 0.180 nan 8.360 nan 0.000 0.510 571 D N 1.191 121.566 120.400 -0.042 0.000 2.411 571 D HA -0.017 4.623 4.640 -0.000 0.000 0.225 571 D C 0.804 177.069 176.300 -0.059 0.000 1.156 571 D CA 0.019 53.980 54.000 -0.065 0.000 0.874 571 D CB 0.994 41.747 40.800 -0.078 0.000 1.034 571 D HN -0.029 nan 8.370 nan 0.000 0.502 572 T N 0.125 114.647 114.554 -0.054 0.000 3.129 572 T HA 0.077 4.427 4.350 -0.000 0.000 0.251 572 T C 0.893 175.562 174.700 -0.051 0.000 1.117 572 T CA -0.312 61.766 62.100 -0.038 0.000 1.034 572 T CB -0.147 68.709 68.868 -0.020 0.000 0.968 572 T HN 0.086 nan 8.240 nan 0.000 0.526 573 V N 2.274 122.132 119.914 -0.094 0.000 2.458 573 V HA 0.464 4.584 4.120 -0.000 0.000 0.287 573 V C 1.673 177.719 176.094 -0.079 0.000 1.009 573 V CA 1.068 63.303 62.300 -0.110 0.000 1.091 573 V CB -0.323 31.351 31.823 -0.249 0.000 0.960 573 V HN 0.837 nan 8.190 nan 0.000 0.476 574 G N 4.678 113.452 108.800 -0.043 0.000 2.195 574 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.224 574 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.224 574 G C 0.248 175.153 174.900 0.009 0.000 0.990 574 G CA -0.168 44.924 45.100 -0.014 0.000 0.639 574 G HN 0.600 nan 8.290 nan 0.000 0.514 575 R N 0.880 121.376 120.500 -0.007 0.000 2.536 575 R HA 0.482 4.822 4.340 -0.000 0.000 0.279 575 R C -2.275 174.004 176.300 -0.036 0.000 1.001 575 R CA -1.694 54.414 56.100 0.014 0.000 1.027 575 R CB 1.471 31.784 30.300 0.022 0.000 1.096 575 R HN 0.027 nan 8.270 nan 0.000 0.502 576 P HA 0.019 nan 4.420 nan 0.000 0.225 576 P C -0.652 176.666 177.300 0.031 0.000 1.768 576 P CA -0.123 62.901 63.100 -0.126 0.000 0.943 576 P CB -0.095 31.501 31.700 -0.174 0.000 1.936 577 L N 3.420 124.661 121.223 0.029 0.000 2.410 577 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 577 L C -2.214 174.748 176.870 0.154 0.000 1.152 577 L CA -1.946 52.950 54.840 0.093 0.000 0.855 577 L CB 0.001 42.087 42.059 0.045 0.000 1.129 577 L HN 0.026 nan 8.230 nan 0.000 0.463 578 P HA 0.001 nan 4.420 nan 0.000 0.274 578 P C -0.709 176.719 177.300 0.212 0.000 1.231 578 P CA -0.212 63.077 63.100 0.315 0.000 0.790 578 P CB 0.330 32.145 31.700 0.191 0.000 0.951 579 H N 2.443 121.586 119.070 0.122 0.000 3.195 579 H HA -0.065 4.491 4.556 -0.000 0.000 0.302 579 H C 1.169 176.534 175.328 0.061 0.000 0.950 579 H CA 0.655 56.745 56.048 0.070 0.000 1.398 579 H CB 0.318 30.118 29.762 0.064 0.000 1.377 579 H HN 0.342 nan 8.280 nan 0.000 0.572 580 L N 4.231 125.476 121.223 0.037 0.000 2.189 580 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 580 L C 2.248 179.249 176.870 0.218 0.000 1.097 580 L CA 1.553 56.453 54.840 0.101 0.000 0.764 580 L CB -0.320 41.738 42.059 -0.002 0.000 0.900 580 L HN 0.646 nan 8.230 nan 0.000 0.436 581 A N -1.026 122.073 122.820 0.464 0.000 2.387 581 A HA 0.419 4.739 4.320 -0.000 0.000 0.234 581 A C 2.257 179.918 177.584 0.127 0.000 1.253 581 A CA 0.611 52.806 52.037 0.264 0.000 0.894 581 A CB -0.159 18.988 19.000 0.245 0.000 0.963 581 A HN 0.275 nan 8.150 nan 0.000 0.508 582 A N 0.458 123.357 122.820 0.132 0.000 1.908 582 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 582 A C 2.429 180.031 177.584 0.029 0.000 1.181 582 A CA 2.085 54.135 52.037 0.022 0.000 0.627 582 A CB -0.861 18.166 19.000 0.045 0.000 0.818 582 A HN 1.067 nan 8.150 nan 0.000 0.445 583 A N -0.720 122.131 122.820 0.051 0.000 1.902 583 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 583 A C 2.255 179.866 177.584 0.045 0.000 1.181 583 A CA 1.840 53.903 52.037 0.043 0.000 0.623 583 A CB -0.517 18.513 19.000 0.050 0.000 0.818 583 A HN 0.538 nan 8.150 nan 0.000 0.443 584 M N -1.047 118.584 119.600 0.053 0.000 2.319 584 M HA -0.162 4.318 4.480 -0.000 0.000 0.265 584 M C 2.313 178.645 176.300 0.053 0.000 1.068 584 M CA 1.258 56.587 55.300 0.048 0.000 1.118 584 M CB -0.278 32.352 32.600 0.050 0.000 1.395 584 M HN 0.493 nan 8.290 nan 0.000 0.435 585 Q N 0.021 119.853 119.800 0.054 0.000 2.123 585 Q HA -0.037 4.303 4.340 -0.000 0.000 0.199 585 Q C 2.191 178.230 176.000 0.064 0.000 0.966 585 Q CA 1.451 57.303 55.803 0.082 0.000 0.845 585 Q CB -0.162 28.609 28.738 0.056 0.000 0.907 585 Q HN 0.566 nan 8.270 nan 0.000 0.439 586 A N 0.797 123.644 122.820 0.045 0.000 2.066 586 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 586 A C 2.047 179.655 177.584 0.041 0.000 1.157 586 A CA 1.398 53.463 52.037 0.048 0.000 0.670 586 A CB -0.183 18.845 19.000 0.047 0.000 0.804 586 A HN 0.373 nan 8.150 nan 0.000 0.453 587 S N -2.424 113.297 115.700 0.035 0.000 2.556 587 S HA 0.398 4.867 4.470 -0.000 0.000 0.216 587 S C 1.354 175.962 174.600 0.014 0.000 0.970 587 S CA 1.006 59.218 58.200 0.021 0.000 0.912 587 S CB -0.115 63.099 63.200 0.023 0.000 0.790 587 S HN 1.813 nan 8.310 nan 0.000 0.504 588 G N 1.327 110.145 108.800 0.030 0.000 2.148 588 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 588 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 588 G C 0.448 175.373 174.900 0.043 0.000 0.981 588 G CA 0.535 45.654 45.100 0.032 0.000 0.670 588 G HN 0.598 nan 8.290 nan 0.000 0.528 589 E N -0.010 120.215 120.200 0.041 0.000 2.318 589 E HA 0.401 4.751 4.350 -0.000 0.000 0.193 589 E C 1.794 178.413 176.600 0.032 0.000 0.998 589 E CA 0.294 56.712 56.400 0.030 0.000 0.859 589 E CB 0.173 29.886 29.700 0.021 0.000 0.812 589 E HN 0.799 nan 8.360 nan 0.000 0.492 590 A N 1.769 124.615 122.820 0.042 0.000 2.548 590 A HA 0.107 4.427 4.320 -0.000 0.000 0.247 590 A C 0.199 177.752 177.584 -0.051 0.000 1.067 590 A CA 0.043 52.063 52.037 -0.029 0.000 0.757 590 A CB 0.181 19.155 19.000 -0.043 0.000 0.996 590 A HN 0.005 nan 8.150 nan 0.000 0.504 591 V N 4.484 124.324 119.914 -0.124 0.000 2.406 591 V HA 0.304 4.424 4.120 -0.000 0.000 0.272 591 V C -0.413 175.571 176.094 -0.183 0.000 1.043 591 V CA -0.033 62.228 62.300 -0.065 0.000 0.915 591 V CB 0.032 31.827 31.823 -0.046 0.000 0.988 591 V HN 0.746 nan 8.190 nan 0.000 0.466 592 Y N 1.783 122.137 120.300 0.090 0.000 2.534 592 Y HA 0.332 4.882 4.550 -0.000 0.000 0.329 592 Y C 1.532 177.471 175.900 0.066 0.000 1.154 592 Y CA -0.345 57.818 58.100 0.104 0.000 1.192 592 Y CB 0.802 39.396 38.460 0.222 0.000 1.275 592 Y HN 0.656 nan 8.280 nan 0.000 0.491 593 C N 0.776 120.196 119.300 0.200 0.000 2.349 593 C HA -0.300 4.160 4.460 -0.000 0.000 0.274 593 C C 2.475 177.526 174.990 0.102 0.000 1.178 593 C CA 2.570 61.660 59.018 0.121 0.000 1.769 593 C CB -0.825 26.977 27.740 0.103 0.000 2.047 593 C HN 1.085 nan 8.230 nan 0.000 0.448 594 D N -0.457 120.026 120.400 0.138 0.000 2.371 594 D HA -0.058 4.581 4.640 -0.000 0.000 0.221 594 D C 1.495 177.860 176.300 0.109 0.000 0.986 594 D CA 0.837 54.911 54.000 0.123 0.000 0.899 594 D CB -0.332 40.556 40.800 0.147 0.000 0.902 594 D HN 0.558 nan 8.370 nan 0.000 0.530 595 D N -0.320 120.157 120.400 0.129 0.000 2.277 595 D HA -0.002 4.637 4.640 -0.000 0.000 0.208 595 D C 0.633 176.938 176.300 0.007 0.000 0.962 595 D CA 0.143 54.197 54.000 0.090 0.000 0.865 595 D CB 0.115 41.000 40.800 0.142 0.000 0.939 595 D HN 0.359 nan 8.370 nan 0.000 0.510 596 I N 2.673 123.221 120.570 -0.037 0.000 2.668 596 I HA -0.011 4.159 4.170 -0.000 0.000 0.285 596 I C -1.948 174.085 176.117 -0.140 0.000 1.168 596 I CA -1.383 59.831 61.300 -0.143 0.000 1.424 596 I CB 0.182 38.022 38.000 -0.267 0.000 1.377 596 I HN -0.292 nan 8.210 nan 0.000 0.560 597 P HA 0.018 nan 4.420 nan 0.000 0.267 597 P C -0.844 176.331 177.300 -0.209 0.000 1.200 597 P CA -0.191 62.812 63.100 -0.161 0.000 0.772 597 P CB 0.387 31.977 31.700 -0.185 0.000 0.855 598 R N 2.127 122.555 120.500 -0.121 0.000 2.500 598 R HA 0.351 4.691 4.340 -0.000 0.000 0.275 598 R C -0.559 175.662 176.300 -0.132 0.000 1.051 598 R CA -0.534 55.509 56.100 -0.096 0.000 1.088 598 R CB 0.184 30.501 30.300 0.027 0.000 1.063 598 R HN 0.322 nan 8.270 nan 0.000 0.511 599 Y N 0.977 121.250 120.300 -0.046 0.000 2.357 599 Y HA -0.068 4.482 4.550 -0.000 0.000 0.340 599 Y C 1.809 177.702 175.900 -0.012 0.000 1.260 599 Y CA 0.361 58.441 58.100 -0.034 0.000 1.425 599 Y CB 1.056 39.492 38.460 -0.039 0.000 1.326 599 Y HN 0.819 nan 8.280 nan 0.000 0.580 600 E N 0.392 120.692 120.200 0.167 0.000 2.209 600 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 600 E C 0.563 177.230 176.600 0.111 0.000 0.993 600 E CA 1.658 58.120 56.400 0.104 0.000 0.819 600 E CB -0.280 29.465 29.700 0.076 0.000 0.745 600 E HN 0.735 nan 8.360 nan 0.000 0.477 601 N N 0.983 119.751 118.700 0.114 0.000 2.238 601 N HA 0.006 4.746 4.740 -0.000 0.000 0.222 601 N C -0.424 175.197 175.510 0.185 0.000 1.133 601 N CA -0.186 52.934 53.050 0.117 0.000 0.854 601 N CB 0.248 38.696 38.487 -0.065 0.000 1.041 601 N HN 0.196 nan 8.380 nan 0.000 0.510 602 E N 0.983 121.258 120.200 0.124 0.000 2.384 602 E HA 0.205 4.555 4.350 -0.000 0.000 0.266 602 E C -0.444 176.086 176.600 -0.117 0.000 1.012 602 E CA -0.187 56.218 56.400 0.007 0.000 0.901 602 E CB 0.681 30.345 29.700 -0.060 0.000 0.967 602 E HN 0.247 nan 8.360 nan 0.000 0.435 603 L N 3.351 124.456 121.223 -0.197 0.000 2.335 603 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 603 L C -0.646 175.928 176.870 -0.493 0.000 1.016 603 L CA -1.053 53.676 54.840 -0.184 0.000 0.805 603 L CB 0.799 42.804 42.059 -0.090 0.000 1.311 603 L HN 0.514 nan 8.230 nan 0.000 0.456 604 F N 0.766 120.732 119.950 0.027 0.000 2.551 604 F HA 0.588 5.115 4.527 -0.000 0.000 0.316 604 F C -0.272 175.548 175.800 0.032 0.000 1.089 604 F CA -0.521 57.501 58.000 0.037 0.000 0.915 604 F CB 1.863 40.886 39.000 0.039 0.000 1.186 604 F HN 0.146 nan 8.300 nan 0.000 0.456 605 L N 3.092 124.428 121.223 0.188 0.000 2.334 605 L HA 0.804 5.144 4.340 -0.000 0.000 0.276 605 L C -1.004 175.960 176.870 0.155 0.000 1.014 605 L CA -0.799 54.123 54.840 0.136 0.000 0.815 605 L CB 1.503 43.620 42.059 0.096 0.000 1.268 605 L HN 0.696 nan 8.230 nan 0.000 0.428 606 R N 4.409 124.993 120.500 0.140 0.000 2.483 606 R HA 0.532 4.872 4.340 -0.000 0.000 0.303 606 R C -1.658 174.722 176.300 0.133 0.000 0.987 606 R CA -0.420 55.764 56.100 0.140 0.000 0.881 606 R CB 1.078 31.466 30.300 0.147 0.000 1.177 606 R HN 0.697 nan 8.270 nan 0.000 0.451 607 L N 3.784 125.086 121.223 0.131 0.000 2.456 607 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 607 L C -0.217 176.732 176.870 0.131 0.000 1.189 607 L CA -0.470 54.447 54.840 0.128 0.000 0.846 607 L CB 1.004 43.148 42.059 0.142 0.000 1.111 607 L HN 0.329 nan 8.230 nan 0.000 0.475 608 V N 1.979 121.961 119.914 0.114 0.000 2.347 608 V HA 0.386 4.506 4.120 -0.000 0.000 0.280 608 V C 0.346 176.518 176.094 0.129 0.000 1.021 608 V CA -0.444 61.945 62.300 0.149 0.000 0.847 608 V CB 1.417 33.383 31.823 0.238 0.000 0.990 608 V HN 0.932 nan 8.190 nan 0.000 0.444 609 T N 1.136 115.779 114.554 0.148 0.000 2.942 609 T HA 0.559 4.908 4.350 -0.000 0.000 0.289 609 T C 0.043 174.855 174.700 0.188 0.000 1.044 609 T CA -0.662 61.536 62.100 0.163 0.000 1.023 609 T CB 1.794 70.759 68.868 0.162 0.000 1.123 609 T HN 0.541 nan 8.240 nan 0.000 0.512 610 S N 0.360 116.186 115.700 0.210 0.000 2.549 610 S HA 0.287 4.757 4.470 -0.000 0.000 0.283 610 S C 1.290 175.970 174.600 0.134 0.000 1.320 610 S CA 0.087 58.430 58.200 0.238 0.000 1.058 610 S CB 0.011 63.355 63.200 0.240 0.000 0.882 610 S HN 1.000 nan 8.310 nan 0.000 0.498 611 T N 2.409 116.987 114.554 0.039 0.000 3.054 611 T HA 0.370 4.720 4.350 -0.000 0.000 0.255 611 T C 0.348 174.940 174.700 -0.181 0.000 1.035 611 T CA -0.457 61.619 62.100 -0.041 0.000 0.941 611 T CB 0.060 68.929 68.868 0.001 0.000 1.026 611 T HN 0.404 nan 8.240 nan 0.000 0.533 612 R N 0.517 120.827 120.500 -0.316 0.000 2.664 612 R HA 0.781 5.121 4.340 -0.000 0.000 0.286 612 R C 1.001 177.260 176.300 -0.069 0.000 0.967 612 R CA -0.329 55.602 56.100 -0.280 0.000 0.933 612 R CB 1.226 31.206 30.300 -0.533 0.000 1.146 612 R HN 0.155 nan 8.270 nan 0.000 0.468 613 A N 0.985 123.797 122.820 -0.013 0.000 2.014 613 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 613 A C 0.357 178.019 177.584 0.130 0.000 1.163 613 A CA 1.231 53.296 52.037 0.047 0.000 0.652 613 A CB -0.084 18.936 19.000 0.033 0.000 0.808 613 A HN 0.738 nan 8.150 nan 0.000 0.449 614 H N -2.206 116.863 119.070 -0.000 0.000 3.188 614 H HA 0.505 5.061 4.556 -0.000 0.000 0.325 614 H C -1.171 174.176 175.328 0.033 0.000 1.033 614 H CA -0.199 55.869 56.048 0.033 0.000 1.443 614 H CB 0.888 30.663 29.762 0.020 0.000 1.968 614 H HN 0.470 nan 8.280 nan 0.000 0.449 615 A N 4.214 127.120 122.820 0.143 0.000 2.586 615 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 615 A C -1.529 176.133 177.584 0.130 0.000 1.062 615 A CA -1.014 51.058 52.037 0.059 0.000 0.666 615 A CB 1.682 20.746 19.000 0.106 0.000 1.281 615 A HN 0.541 nan 8.150 nan 0.000 0.421 616 K N 0.500 120.953 120.400 0.089 0.000 2.144 616 K HA 0.559 4.879 4.320 -0.000 0.000 0.270 616 K C -0.865 175.799 176.600 0.108 0.000 1.005 616 K CA -0.166 56.170 56.287 0.081 0.000 0.932 616 K CB 1.233 33.754 32.500 0.034 0.000 1.021 616 K HN 0.517 nan 8.250 nan 0.000 0.462 617 I N 4.120 124.721 120.570 0.052 0.000 2.291 617 I HA 0.019 4.189 4.170 -0.000 0.000 0.292 617 I C 1.108 177.188 176.117 -0.062 0.000 1.064 617 I CA -0.252 61.018 61.300 -0.050 0.000 1.269 617 I CB 0.746 38.708 38.000 -0.064 0.000 1.418 617 I HN 0.458 nan 8.210 nan 0.000 0.485 618 K N 3.239 123.588 120.400 -0.086 0.000 2.098 618 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 618 K C 0.737 177.289 176.600 -0.081 0.000 1.051 618 K CA 0.625 56.876 56.287 -0.061 0.000 0.957 618 K CB 0.095 32.570 32.500 -0.042 0.000 0.738 618 K HN 0.615 nan 8.250 nan 0.000 0.447 619 S N -0.476 115.146 115.700 -0.130 0.000 2.570 619 S HA 0.625 5.095 4.470 -0.000 0.000 0.270 619 S C -1.480 173.015 174.600 -0.175 0.000 1.149 619 S CA -0.927 57.199 58.200 -0.123 0.000 0.837 619 S CB 1.180 64.320 63.200 -0.100 0.000 1.124 619 S HN 0.044 nan 8.310 nan 0.000 0.465 620 I N 2.575 123.052 120.570 -0.155 0.000 2.500 620 I HA 0.373 4.542 4.170 -0.000 0.000 0.286 620 I C -1.608 174.379 176.117 -0.217 0.000 1.063 620 I CA -0.441 60.737 61.300 -0.204 0.000 1.062 620 I CB 1.992 39.888 38.000 -0.173 0.000 1.223 620 I HN 0.700 nan 8.210 nan 0.000 0.435 621 D N 5.615 125.869 120.400 -0.242 0.000 2.344 621 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 621 D C 0.300 176.420 176.300 -0.300 0.000 1.064 621 D CA -0.499 53.365 54.000 -0.226 0.000 0.829 621 D CB 1.997 42.696 40.800 -0.167 0.000 1.129 621 D HN 0.313 nan 8.370 nan 0.000 0.506 622 V N 1.691 121.415 119.914 -0.316 0.000 3.214 622 V HA 0.176 4.296 4.120 -0.000 0.000 0.330 622 V C 1.459 177.371 176.094 -0.303 0.000 1.403 622 V CA 0.541 62.622 62.300 -0.365 0.000 1.143 622 V CB -0.399 31.168 31.823 -0.425 0.000 1.098 622 V HN 0.498 nan 8.190 nan 0.000 0.463 623 S N 0.390 115.952 115.700 -0.229 0.000 2.399 623 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 623 S C 1.666 176.140 174.600 -0.210 0.000 1.022 623 S CA 1.514 59.596 58.200 -0.197 0.000 0.983 623 S CB -0.346 62.770 63.200 -0.140 0.000 0.803 623 S HN 0.650 nan 8.310 nan 0.000 0.480 624 E N 1.743 121.821 120.200 -0.202 0.000 2.122 624 E HA 0.207 4.557 4.350 -0.000 0.000 0.190 624 E C 2.481 178.949 176.600 -0.220 0.000 0.977 624 E CA 0.997 57.291 56.400 -0.177 0.000 0.820 624 E CB -0.751 28.866 29.700 -0.139 0.000 0.770 624 E HN 0.628 nan 8.360 nan 0.000 0.462 625 A N 1.484 124.140 122.820 -0.274 0.000 1.902 625 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 625 A C 2.108 179.295 177.584 -0.662 0.000 1.181 625 A CA 1.492 53.343 52.037 -0.310 0.000 0.623 625 A CB -0.601 18.259 19.000 -0.233 0.000 0.818 625 A HN 0.197 nan 8.150 nan 0.000 0.443 626 Q N -0.564 118.698 119.800 -0.896 0.000 2.297 626 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 626 Q C 1.514 177.212 176.000 -0.504 0.000 0.981 626 Q CA 1.516 56.648 55.803 -1.119 0.000 0.876 626 Q CB -0.121 28.247 28.738 -0.617 0.000 0.921 626 Q HN 0.662 nan 8.270 nan 0.000 0.446 627 K N -0.335 119.876 120.400 -0.315 0.000 2.426 627 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 627 K C -0.024 176.508 176.600 -0.114 0.000 1.028 627 K CA -0.095 56.094 56.287 -0.163 0.000 1.047 627 K CB 0.692 33.116 32.500 -0.126 0.000 0.821 627 K HN -0.057 nan 8.250 nan 0.000 0.513 628 V N 3.661 123.505 119.914 -0.116 0.000 2.637 628 V HA 0.050 4.170 4.120 -0.000 0.000 0.296 628 V C -2.182 173.858 176.094 -0.089 0.000 1.046 628 V CA -1.655 60.600 62.300 -0.075 0.000 1.066 628 V CB 0.423 32.241 31.823 -0.008 0.000 0.968 628 V HN 0.037 nan 8.190 nan 0.000 0.483 629 P HA 0.200 nan 4.420 nan 0.000 0.266 629 P C 0.966 178.052 177.300 -0.357 0.000 1.195 629 P CA 1.375 64.301 63.100 -0.290 0.000 0.768 629 P CB 0.544 32.014 31.700 -0.384 0.000 0.838 630 G N 2.052 110.821 108.800 -0.051 0.000 2.184 630 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 630 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 630 G C 0.188 175.173 174.900 0.141 0.000 0.975 630 G CA -0.277 44.891 45.100 0.113 0.000 0.642 630 G HN 0.564 nan 8.290 nan 0.000 0.536 631 F N 0.908 120.859 119.950 0.000 0.000 2.607 631 F HA 0.385 4.912 4.527 0.000 0.000 0.374 631 F C 1.315 177.135 175.800 0.033 0.000 1.104 631 F CA 1.040 59.058 58.000 0.030 0.000 1.296 631 F CB 0.954 39.961 39.000 0.010 0.000 1.085 631 F HN -0.070 nan 8.300 nan 0.000 0.584 632 V N 4.289 123.756 119.914 -0.745 0.000 2.854 632 V HA 0.115 4.235 4.120 -0.000 0.000 0.236 632 V C 0.287 175.932 176.094 -0.749 0.000 1.157 632 V CA 1.052 63.041 62.300 -0.518 0.000 1.187 632 V CB 0.500 32.125 31.823 -0.329 0.000 0.949 632 V HN 1.063 nan 8.190 nan 0.000 0.488 633 C N -1.844 116.782 119.300 -1.123 0.000 3.231 633 C HA 0.675 5.134 4.460 -0.000 0.000 0.343 633 C C -1.508 173.314 174.990 -0.280 0.000 1.349 633 C CA -1.334 57.334 59.018 -0.583 0.000 1.209 633 C CB 0.862 28.488 27.740 -0.190 0.000 1.475 633 C HN 0.320 nan 8.230 nan 0.000 0.460 634 F N 1.763 121.746 119.950 0.055 0.000 2.467 634 F HA 0.835 5.362 4.527 0.000 0.000 0.336 634 F C -0.959 174.856 175.800 0.026 0.000 1.123 634 F CA -1.159 56.904 58.000 0.106 0.000 0.964 634 F CB 0.975 40.104 39.000 0.216 0.000 1.136 634 F HN 0.731 nan 8.300 nan 0.000 0.447 635 L N 5.768 126.490 121.223 -0.835 0.000 2.325 635 L HA 0.715 5.054 4.340 -0.000 0.000 0.278 635 L C -0.168 176.071 176.870 -1.052 0.000 1.023 635 L CA -0.608 53.880 54.840 -0.588 0.000 0.811 635 L CB 1.759 43.724 42.059 -0.157 0.000 1.249 635 L HN 0.801 nan 8.230 nan 0.000 0.431 636 S N 0.914 116.334 115.700 -0.467 0.000 2.720 636 S HA 0.637 5.107 4.470 -0.000 0.000 0.287 636 S C 0.688 175.388 174.600 0.165 0.000 1.168 636 S CA -0.133 57.858 58.200 -0.348 0.000 0.832 636 S CB 1.479 64.632 63.200 -0.079 0.000 1.166 636 S HN 0.646 nan 8.310 nan 0.000 0.493 637 A N 0.997 123.955 122.820 0.230 0.000 1.940 637 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 637 A C 1.546 179.218 177.584 0.146 0.000 1.190 637 A CA 2.384 54.570 52.037 0.248 0.000 0.647 637 A CB -1.440 17.656 19.000 0.159 0.000 0.821 637 A HN 0.855 nan 8.150 nan 0.000 0.457 638 D N 0.030 120.494 120.400 0.108 0.000 2.351 638 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 638 D C 0.935 177.287 176.300 0.086 0.000 0.968 638 D CA 0.940 54.989 54.000 0.081 0.000 0.899 638 D CB -0.325 40.517 40.800 0.070 0.000 0.907 638 D HN 0.496 nan 8.370 nan 0.000 0.514 639 D N 0.208 120.674 120.400 0.110 0.000 2.317 639 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 639 D C 0.936 177.303 176.300 0.112 0.000 0.966 639 D CA 0.052 54.123 54.000 0.119 0.000 0.876 639 D CB 0.789 41.665 40.800 0.127 0.000 0.927 639 D HN 0.278 nan 8.370 nan 0.000 0.519 640 I N 3.682 124.291 120.570 0.066 0.000 2.587 640 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 640 I C -0.838 175.253 176.117 -0.043 0.000 1.134 640 I CA -0.867 60.420 61.300 -0.023 0.000 1.410 640 I CB 0.947 38.907 38.000 -0.066 0.000 1.392 640 I HN -0.141 nan 8.210 nan 0.000 0.545 641 P HA -0.001 nan 4.420 nan 0.000 0.224 641 P C 0.896 178.118 177.300 -0.130 0.000 1.157 641 P CA 0.740 63.760 63.100 -0.134 0.000 0.799 641 P CB 0.556 32.050 31.700 -0.343 0.000 0.809 642 G N 0.027 108.731 108.800 -0.160 0.000 3.223 642 G HA2 0.224 4.184 3.960 -0.000 0.000 0.198 642 G HA3 0.224 4.184 3.960 -0.000 0.000 0.198 642 G C -0.384 174.461 174.900 -0.091 0.000 1.980 642 G CA 0.133 45.160 45.100 -0.122 0.000 0.828 642 G HN 0.322 nan 8.290 nan 0.000 0.680 643 S N -0.546 115.095 115.700 -0.099 0.000 2.501 643 S HA 0.340 4.810 4.470 -0.000 0.000 0.301 643 S C 0.292 174.831 174.600 -0.103 0.000 1.096 643 S CA -0.573 57.575 58.200 -0.086 0.000 1.063 643 S CB 1.644 64.792 63.200 -0.086 0.000 1.042 643 S HN 0.388 nan 8.310 nan 0.000 0.494 644 N N 2.776 121.430 118.700 -0.077 0.000 2.280 644 N HA 0.071 4.811 4.740 -0.000 0.000 0.192 644 N C -0.020 175.443 175.510 -0.080 0.000 1.109 644 N CA -0.005 52.998 53.050 -0.079 0.000 0.855 644 N CB 0.250 38.720 38.487 -0.027 0.000 0.974 644 N HN 0.785 nan 8.380 nan 0.000 0.482 645 E N 0.037 120.183 120.200 -0.090 0.000 2.167 645 E HA 0.249 4.599 4.350 -0.000 0.000 0.284 645 E C -0.780 175.709 176.600 -0.184 0.000 1.016 645 E CA -0.214 56.126 56.400 -0.098 0.000 0.817 645 E CB 0.852 30.509 29.700 -0.072 0.000 1.080 645 E HN 0.093 nan 8.360 nan 0.000 0.397 646 T N 2.198 116.616 114.554 -0.226 0.000 2.618 646 T HA 0.750 5.100 4.350 -0.000 0.000 0.286 646 T C -0.658 173.790 174.700 -0.419 0.000 1.027 646 T CA 0.388 62.222 62.100 -0.443 0.000 1.063 646 T CB 1.170 69.776 68.868 -0.436 0.000 1.440 646 T HN 0.938 nan 8.240 nan 0.000 0.505 647 G N 0.438 108.835 108.800 -0.671 0.000 2.663 647 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.686 647 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.686 647 G C 0.213 175.029 174.900 -0.139 0.000 1.246 647 G CA -0.129 44.823 45.100 -0.246 0.000 0.795 647 G HN 1.033 nan 8.290 nan 0.000 0.627 648 L N 0.118 121.433 121.223 0.153 0.000 2.043 648 L HA 0.189 4.529 4.340 -0.000 0.000 0.212 648 L C 1.992 178.671 176.870 -0.318 0.000 1.075 648 L CA 2.432 57.298 54.840 0.044 0.000 0.752 648 L CB -0.419 41.657 42.059 0.029 0.000 0.891 648 L HN 0.567 nan 8.230 nan 0.000 0.432 649 F N -0.907 119.060 119.950 0.029 0.000 2.772 649 F HA 0.268 4.795 4.527 -0.000 0.000 0.302 649 F C 0.923 176.700 175.800 -0.039 0.000 1.136 649 F CA -0.496 57.502 58.000 -0.005 0.000 1.322 649 F CB -0.683 38.301 39.000 -0.025 0.000 0.967 649 F HN 0.030 nan 8.300 nan 0.000 0.513 650 N N 1.056 119.765 118.700 0.016 0.000 2.708 650 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 650 N C -0.878 174.636 175.510 0.006 0.000 1.097 650 N CA 1.277 54.304 53.050 -0.037 0.000 0.710 650 N CB -1.040 37.425 38.487 -0.037 0.000 1.032 650 N HN 0.528 nan 8.380 nan 0.000 0.551 651 D N -1.393 119.026 120.400 0.031 0.000 2.670 651 D HA 0.214 4.854 4.640 -0.000 0.000 0.255 651 D C -0.177 176.142 176.300 0.031 0.000 1.286 651 D CA -0.238 53.786 54.000 0.040 0.000 0.830 651 D CB 0.459 41.292 40.800 0.055 0.000 1.065 651 D HN 0.371 nan 8.370 nan 0.000 0.486 652 E N 0.069 120.272 120.200 0.005 0.000 2.392 652 E HA 0.507 4.857 4.350 -0.000 0.000 0.269 652 E C -0.571 176.040 176.600 0.019 0.000 0.924 652 E CA -1.086 55.325 56.400 0.019 0.000 0.784 652 E CB 1.899 31.596 29.700 -0.005 0.000 1.292 652 E HN 0.181 nan 8.360 nan 0.000 0.447 653 T N -2.378 112.228 114.554 0.088 0.000 2.952 653 T HA 0.319 4.669 4.350 -0.000 0.000 0.286 653 T C 0.811 175.535 174.700 0.041 0.000 1.024 653 T CA -0.769 61.373 62.100 0.072 0.000 1.029 653 T CB 1.363 70.317 68.868 0.144 0.000 1.094 653 T HN 0.154 nan 8.240 nan 0.000 0.515 654 V N -0.165 119.718 119.914 -0.052 0.000 2.535 654 V HA 0.266 4.386 4.120 -0.000 0.000 0.246 654 V C 0.154 176.190 176.094 -0.097 0.000 1.045 654 V CA 0.866 63.054 62.300 -0.188 0.000 1.058 654 V CB -0.565 31.018 31.823 -0.400 0.000 0.689 654 V HN 0.831 nan 8.190 nan 0.000 0.461 655 F N -0.413 119.545 119.950 0.012 0.000 2.536 655 F HA 0.665 5.192 4.527 0.000 0.000 0.322 655 F C 0.331 176.117 175.800 -0.023 0.000 1.144 655 F CA -1.050 56.946 58.000 -0.006 0.000 0.924 655 F CB 1.244 40.224 39.000 -0.032 0.000 1.181 655 F HN 0.016 nan 8.300 nan 0.000 0.438 656 A N 4.360 127.235 122.820 0.091 0.000 2.565 656 A HA 0.176 4.495 4.320 -0.000 0.000 0.237 656 A C -0.303 177.278 177.584 -0.006 0.000 1.053 656 A CA 0.320 52.290 52.037 -0.111 0.000 0.755 656 A CB 0.303 18.952 19.000 -0.584 0.000 0.980 656 A HN 0.775 nan 8.150 nan 0.000 0.506 657 K N 1.907 122.322 120.400 0.026 0.000 2.397 657 K HA 0.418 4.738 4.320 -0.000 0.000 0.253 657 K C -0.459 176.167 176.600 0.043 0.000 0.932 657 K CA -0.404 55.908 56.287 0.041 0.000 0.795 657 K CB 0.895 33.429 32.500 0.058 0.000 1.159 657 K HN 0.798 nan 8.250 nan 0.000 0.424 658 D N -0.121 120.300 120.400 0.034 0.000 3.587 658 D HA -0.221 4.419 4.640 -0.000 0.000 0.199 658 D C 0.035 176.369 176.300 0.057 0.000 1.393 658 D CA 2.468 56.492 54.000 0.040 0.000 2.278 658 D CB -0.847 39.983 40.800 0.049 0.000 1.271 658 D HN 0.754 nan 8.370 nan 0.000 0.427 659 T N -2.216 112.388 114.554 0.082 0.000 2.883 659 T HA 0.624 4.974 4.350 -0.000 0.000 0.301 659 T C -0.326 174.465 174.700 0.151 0.000 1.158 659 T CA -0.380 61.801 62.100 0.135 0.000 1.007 659 T CB 2.802 71.779 68.868 0.181 0.000 1.186 659 T HN 0.433 nan 8.240 nan 0.000 0.499 660 V N -0.257 119.799 119.914 0.237 0.000 2.581 660 V HA 0.838 4.958 4.120 -0.000 0.000 0.303 660 V C 0.626 177.002 176.094 0.470 0.000 1.041 660 V CA -0.189 62.309 62.300 0.329 0.000 0.907 660 V CB 1.238 33.228 31.823 0.278 0.000 0.994 660 V HN 1.256 nan 8.190 nan 0.000 0.442 661 T N -0.952 113.942 114.554 0.566 0.000 3.228 661 T HA 0.472 4.822 4.350 -0.000 0.000 0.278 661 T C 0.106 174.809 174.700 0.005 0.000 1.014 661 T CA 0.267 62.436 62.100 0.114 0.000 0.904 661 T CB -0.781 68.063 68.868 -0.041 0.000 1.110 661 T HN 1.931 nan 8.240 nan 0.000 0.541 662 C N -1.082 118.282 119.300 0.107 0.000 3.099 662 C HA 0.621 5.081 4.460 -0.000 0.000 0.357 662 C C -0.655 174.405 174.990 0.117 0.000 1.171 662 C CA -1.205 57.848 59.018 0.058 0.000 1.129 662 C CB 0.592 28.326 27.740 -0.009 0.000 1.420 662 C HN 0.177 nan 8.230 nan 0.000 0.510 663 V N 3.293 123.258 119.914 0.085 0.000 2.521 663 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 663 V C 1.617 177.784 176.094 0.121 0.000 1.034 663 V CA 2.383 64.737 62.300 0.090 0.000 1.045 663 V CB 0.583 32.446 31.823 0.068 0.000 0.974 663 V HN 2.425 nan 8.190 nan 0.000 0.480 664 G N 3.279 112.168 108.800 0.148 0.000 2.218 664 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 664 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 664 G C 0.262 175.288 174.900 0.210 0.000 0.994 664 G CA 0.174 45.368 45.100 0.157 0.000 0.637 664 G HN 0.904 nan 8.290 nan 0.000 0.505 665 H N 1.014 120.150 119.070 0.110 0.000 3.107 665 H HA 0.340 4.896 4.556 -0.000 0.000 0.301 665 H C 0.875 176.287 175.328 0.141 0.000 0.981 665 H CA -0.428 55.692 56.048 0.120 0.000 1.443 665 H CB 0.123 29.959 29.762 0.123 0.000 1.479 665 H HN 0.286 nan 8.280 nan 0.000 0.564 666 I N 7.476 128.271 120.570 0.376 0.000 2.581 666 I HA -0.145 4.025 4.170 -0.000 0.000 0.285 666 I C 0.914 177.126 176.117 0.159 0.000 1.129 666 I CA 0.414 61.868 61.300 0.256 0.000 1.397 666 I CB 0.592 38.780 38.000 0.313 0.000 1.399 666 I HN 0.711 nan 8.210 nan 0.000 0.537 667 I N 4.695 125.292 120.570 0.046 0.000 3.172 667 I HA 0.261 4.431 4.170 -0.000 0.000 0.278 667 I C 1.249 177.175 176.117 -0.318 0.000 1.174 667 I CA 0.294 61.562 61.300 -0.054 0.000 1.445 667 I CB 0.183 38.185 38.000 0.003 0.000 1.175 667 I HN 0.743 nan 8.210 nan 0.000 0.447 668 G N 0.210 108.731 108.800 -0.465 0.000 2.570 668 G HA2 0.772 4.732 3.960 -0.000 0.000 0.310 668 G HA3 0.772 4.732 3.960 -0.000 0.000 0.310 668 G C -2.023 172.456 174.900 -0.702 0.000 1.266 668 G CA 0.109 44.534 45.100 -1.125 0.000 0.825 668 G HN 0.206 nan 8.290 nan 0.000 0.483 669 A N -1.425 120.966 122.820 -0.714 0.000 2.594 669 A HA 0.706 5.025 4.320 -0.000 0.000 0.296 669 A C -1.441 176.064 177.584 -0.131 0.000 1.061 669 A CA -0.362 51.551 52.037 -0.207 0.000 0.689 669 A CB 1.484 20.468 19.000 -0.027 0.000 1.280 669 A HN 1.501 nan 8.150 nan 0.000 0.406 670 V N 1.313 121.285 119.914 0.097 0.000 2.532 670 V HA 0.637 4.756 4.120 -0.000 0.000 0.295 670 V C -0.253 175.870 176.094 0.048 0.000 1.041 670 V CA -0.490 61.903 62.300 0.154 0.000 0.926 670 V CB 1.712 33.715 31.823 0.301 0.000 0.992 670 V HN 0.749 nan 8.190 nan 0.000 0.457 671 V N 3.245 123.114 119.914 -0.074 0.000 2.540 671 V HA 0.940 5.060 4.120 -0.000 0.000 0.302 671 V C 0.143 176.164 176.094 -0.122 0.000 1.035 671 V CA -0.203 62.052 62.300 -0.074 0.000 0.873 671 V CB 1.436 33.182 31.823 -0.129 0.000 0.992 671 V HN 1.103 nan 8.190 nan 0.000 0.428 672 A N 2.696 125.537 122.820 0.034 0.000 2.583 672 A HA 0.701 5.020 4.320 -0.000 0.000 0.289 672 A C 0.430 178.131 177.584 0.195 0.000 1.151 672 A CA -0.072 52.016 52.037 0.085 0.000 0.695 672 A CB 1.445 20.553 19.000 0.180 0.000 1.290 672 A HN 0.767 nan 8.150 nan 0.000 0.419 673 D N -0.310 120.215 120.400 0.210 0.000 2.312 673 D HA 0.023 4.663 4.640 -0.000 0.000 0.211 673 D C 0.717 177.183 176.300 0.278 0.000 0.964 673 D CA 1.784 55.932 54.000 0.248 0.000 0.877 673 D CB -0.254 40.666 40.800 0.200 0.000 0.924 673 D HN 0.777 nan 8.370 nan 0.000 0.515 674 T N -5.037 109.574 114.554 0.096 0.000 2.864 674 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 674 T C -2.412 172.035 174.700 -0.421 0.000 1.166 674 T CA -1.502 60.375 62.100 -0.371 0.000 1.007 674 T CB 2.786 71.378 68.868 -0.460 0.000 1.219 674 T HN -0.337 nan 8.240 nan 0.000 0.506 675 P HA -0.011 nan 4.420 nan 0.000 0.217 675 P C 0.964 178.174 177.300 -0.150 0.000 1.151 675 P CA 1.159 64.049 63.100 -0.349 0.000 0.828 675 P CB 0.215 31.677 31.700 -0.395 0.000 0.788 676 E N -0.528 119.547 120.200 -0.209 0.000 2.077 676 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 676 E C 2.161 178.785 176.600 0.041 0.000 0.989 676 E CA 1.296 57.633 56.400 -0.105 0.000 0.800 676 E CB -1.118 28.488 29.700 -0.157 0.000 0.746 676 E HN 0.550 nan 8.360 nan 0.000 0.452 677 H N -0.830 118.233 119.070 -0.011 0.000 2.389 677 H HA 0.053 4.609 4.556 0.000 0.000 0.299 677 H C 1.929 177.312 175.328 0.091 0.000 1.081 677 H CA 0.529 56.605 56.048 0.046 0.000 1.345 677 H CB 0.115 29.911 29.762 0.056 0.000 1.393 677 H HN 0.214 nan 8.280 nan 0.000 0.520 678 A N 0.961 123.905 122.820 0.207 0.000 1.930 678 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 678 A C 2.162 179.849 177.584 0.172 0.000 1.175 678 A CA 1.613 53.764 52.037 0.190 0.000 0.627 678 A CB -0.277 18.828 19.000 0.176 0.000 0.815 678 A HN 0.519 nan 8.150 nan 0.000 0.443 679 E N -0.303 119.974 120.200 0.128 0.000 2.072 679 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 679 E C 2.215 178.892 176.600 0.129 0.000 0.982 679 E CA 0.783 57.246 56.400 0.105 0.000 0.803 679 E CB -0.083 29.641 29.700 0.040 0.000 0.755 679 E HN 0.583 nan 8.360 nan 0.000 0.453 680 R N -0.005 120.574 120.500 0.133 0.000 2.090 680 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 680 R C 2.398 178.794 176.300 0.160 0.000 1.110 680 R CA 1.026 57.211 56.100 0.141 0.000 0.973 680 R CB -0.197 30.178 30.300 0.125 0.000 0.869 680 R HN 0.159 nan 8.270 nan 0.000 0.440 681 A N 1.173 124.096 122.820 0.171 0.000 1.898 681 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 681 A C 2.334 180.014 177.584 0.159 0.000 1.181 681 A CA 1.581 53.718 52.037 0.167 0.000 0.620 681 A CB -0.579 18.613 19.000 0.320 0.000 0.819 681 A HN 0.378 nan 8.150 nan 0.000 0.442 682 A N -1.006 121.933 122.820 0.198 0.000 1.972 682 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 682 A C 1.983 179.659 177.584 0.152 0.000 1.169 682 A CA 2.048 54.197 52.037 0.187 0.000 0.635 682 A CB -0.814 18.303 19.000 0.195 0.000 0.810 682 A HN 0.765 nan 8.150 nan 0.000 0.446 683 H N 0.243 119.351 119.070 0.064 0.000 2.423 683 H HA -0.032 4.524 4.556 -0.000 0.000 0.297 683 H C 1.466 176.806 175.328 0.020 0.000 1.075 683 H CA 1.896 57.970 56.048 0.044 0.000 1.342 683 H CB -0.053 29.730 29.762 0.035 0.000 1.395 683 H HN 0.333 nan 8.280 nan 0.000 0.530 684 V N -1.218 118.637 119.914 -0.099 0.000 3.514 684 V HA 0.291 4.411 4.120 -0.000 0.000 0.301 684 V C 0.468 176.467 176.094 -0.159 0.000 1.346 684 V CA -0.284 61.907 62.300 -0.180 0.000 1.156 684 V CB -0.322 31.436 31.823 -0.108 0.000 1.029 684 V HN 0.035 nan 8.190 nan 0.000 0.428 685 V N 2.470 122.304 119.914 -0.134 0.000 2.415 685 V HA 0.180 4.299 4.120 -0.000 0.000 0.267 685 V C 0.576 176.561 176.094 -0.181 0.000 1.042 685 V CA 0.078 62.261 62.300 -0.195 0.000 1.000 685 V CB 0.727 32.434 31.823 -0.194 0.000 1.015 685 V HN 0.586 nan 8.190 nan 0.000 0.478 686 K N 4.931 125.213 120.400 -0.198 0.000 2.276 686 K HA 0.504 4.824 4.320 -0.000 0.000 0.285 686 K C -0.988 175.499 176.600 -0.188 0.000 1.062 686 K CA -0.394 55.797 56.287 -0.160 0.000 0.918 686 K CB 1.119 33.536 32.500 -0.140 0.000 1.055 686 K HN 0.503 nan 8.250 nan 0.000 0.477 687 V N 3.553 123.358 119.914 -0.181 0.000 2.513 687 V HA 0.272 4.392 4.120 -0.000 0.000 0.299 687 V C -0.217 175.650 176.094 -0.379 0.000 1.035 687 V CA -0.776 61.320 62.300 -0.341 0.000 0.889 687 V CB 1.884 33.414 31.823 -0.489 0.000 0.988 687 V HN 0.793 nan 8.190 nan 0.000 0.440 688 T N 4.813 119.134 114.554 -0.388 0.000 2.771 688 T HA 0.663 5.013 4.350 -0.000 0.000 0.281 688 T C -0.928 173.596 174.700 -0.292 0.000 0.982 688 T CA -0.076 61.891 62.100 -0.223 0.000 0.978 688 T CB 0.450 69.244 68.868 -0.123 0.000 0.930 688 T HN 0.453 nan 8.240 nan 0.000 0.447 689 Y N 0.936 121.230 120.300 -0.010 0.000 2.621 689 Y HA 0.617 5.167 4.550 -0.000 0.000 0.334 689 Y C 0.591 176.485 175.900 -0.009 0.000 1.074 689 Y CA -1.370 56.727 58.100 -0.004 0.000 1.149 689 Y CB 1.447 39.911 38.460 0.006 0.000 1.302 689 Y HN 0.511 nan 8.280 nan 0.000 0.501 690 E N 1.451 121.762 120.200 0.185 0.000 2.502 690 E HA 0.178 4.528 4.350 -0.000 0.000 0.261 690 E C -1.628 174.999 176.600 0.045 0.000 0.974 690 E CA -0.654 55.794 56.400 0.080 0.000 0.795 690 E CB 0.562 30.286 29.700 0.040 0.000 1.385 690 E HN 0.593 nan 8.360 nan 0.000 0.400 691 D N 2.843 123.256 120.400 0.022 0.000 2.515 691 D HA 0.046 4.686 4.640 -0.000 0.000 0.232 691 D C -0.010 176.239 176.300 -0.085 0.000 1.157 691 D CA 0.889 54.872 54.000 -0.028 0.000 0.871 691 D CB 0.751 41.536 40.800 -0.025 0.000 1.200 691 D HN 0.408 nan 8.370 nan 0.000 0.466 692 L N 1.951 123.068 121.223 -0.177 0.000 2.333 692 L HA 0.362 4.702 4.340 -0.000 0.000 0.263 692 L C -2.310 174.444 176.870 -0.194 0.000 1.014 692 L CA -2.121 52.535 54.840 -0.308 0.000 0.820 692 L CB 2.077 43.677 42.059 -0.766 0.000 1.352 692 L HN 0.092 nan 8.230 nan 0.000 0.421 693 P HA 0.097 nan 4.420 nan 0.000 0.263 693 P C -1.024 176.378 177.300 0.170 0.000 1.195 693 P CA 0.044 63.156 63.100 0.020 0.000 0.762 693 P CB 0.643 32.353 31.700 0.017 0.000 0.799 694 A N 4.157 127.055 122.820 0.129 0.000 2.306 694 A HA 0.706 5.026 4.320 -0.000 0.000 0.330 694 A C -0.382 177.222 177.584 0.033 0.000 1.146 694 A CA -0.690 51.429 52.037 0.137 0.000 0.827 694 A CB 0.558 19.613 19.000 0.091 0.000 1.178 694 A HN 0.503 nan 8.150 nan 0.000 0.490 695 I N 2.824 123.380 120.570 -0.023 0.000 2.439 695 I HA 0.228 4.398 4.170 -0.000 0.000 0.283 695 I C -0.124 175.938 176.117 -0.091 0.000 1.023 695 I CA -0.312 60.944 61.300 -0.073 0.000 1.100 695 I CB 1.476 39.407 38.000 -0.116 0.000 1.238 695 I HN 0.566 nan 8.210 nan 0.000 0.445 696 I N 2.592 123.113 120.570 -0.081 0.000 3.194 696 I HA 0.049 4.219 4.170 -0.000 0.000 0.271 696 I C 1.500 177.552 176.117 -0.109 0.000 1.150 696 I CA 0.948 62.191 61.300 -0.093 0.000 1.440 696 I CB -0.476 37.482 38.000 -0.070 0.000 1.276 696 I HN 0.520 nan 8.210 nan 0.000 0.457 697 T N -1.021 113.478 114.554 -0.090 0.000 2.881 697 T HA 0.474 4.824 4.350 -0.000 0.000 0.278 697 T C 1.413 176.066 174.700 -0.079 0.000 0.982 697 T CA -0.447 61.608 62.100 -0.076 0.000 0.989 697 T CB 1.757 70.588 68.868 -0.062 0.000 1.058 697 T HN 0.053 nan 8.240 nan 0.000 0.529 698 I N 0.410 120.958 120.570 -0.037 0.000 2.286 698 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 698 I C 2.518 178.574 176.117 -0.102 0.000 1.115 698 I CA 1.332 62.608 61.300 -0.039 0.000 1.392 698 I CB -0.395 37.638 38.000 0.056 0.000 1.065 698 I HN 0.709 nan 8.210 nan 0.000 0.418 699 E N 0.798 120.945 120.200 -0.089 0.000 2.106 699 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 699 E C 1.722 178.253 176.600 -0.115 0.000 0.984 699 E CA 1.054 57.390 56.400 -0.106 0.000 0.806 699 E CB -0.158 29.496 29.700 -0.078 0.000 0.750 699 E HN 0.376 nan 8.360 nan 0.000 0.458 700 D N 0.137 120.471 120.400 -0.110 0.000 2.117 700 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 700 D C 1.846 178.043 176.300 -0.172 0.000 0.987 700 D CA 1.485 55.416 54.000 -0.115 0.000 0.829 700 D CB -0.338 40.402 40.800 -0.100 0.000 0.961 700 D HN 0.209 nan 8.370 nan 0.000 0.460 701 A N 0.632 123.313 122.820 -0.231 0.000 1.902 701 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 701 A C 2.391 179.661 177.584 -0.524 0.000 1.181 701 A CA 0.890 52.687 52.037 -0.401 0.000 0.623 701 A CB -0.703 18.036 19.000 -0.435 0.000 0.818 701 A HN 0.185 nan 8.150 nan 0.000 0.443 702 I N -0.337 120.032 120.570 -0.335 0.000 2.179 702 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 702 I C 2.569 178.646 176.117 -0.067 0.000 1.088 702 I CA 1.944 63.161 61.300 -0.138 0.000 1.357 702 I CB -0.255 37.665 38.000 -0.133 0.000 1.051 702 I HN 0.415 nan 8.210 nan 0.000 0.409 703 K N 0.979 121.322 120.400 -0.095 0.000 2.097 703 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 703 K C 1.393 177.961 176.600 -0.053 0.000 1.049 703 K CA 1.563 57.817 56.287 -0.056 0.000 0.933 703 K CB -0.027 32.437 32.500 -0.059 0.000 0.717 703 K HN 0.338 nan 8.250 nan 0.000 0.442 704 N N 1.132 119.769 118.700 -0.104 0.000 2.270 704 N HA -0.064 4.676 4.740 -0.000 0.000 0.198 704 N C -0.390 175.060 175.510 -0.101 0.000 1.117 704 N CA 0.235 53.229 53.050 -0.093 0.000 0.845 704 N CB 0.145 38.565 38.487 -0.110 0.000 0.980 704 N HN 0.256 nan 8.380 nan 0.000 0.486 705 N N 0.630 119.267 118.700 -0.106 0.000 2.740 705 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 705 N C -1.044 174.352 175.510 -0.191 0.000 1.062 705 N CA 0.334 53.410 53.050 0.044 0.000 0.704 705 N CB -1.226 37.361 38.487 0.166 0.000 0.968 705 N HN 0.005 nan 8.380 nan 0.000 0.547 706 S N 1.024 116.339 115.700 -0.642 0.000 2.592 706 S HA 0.602 5.072 4.470 -0.000 0.000 0.305 706 S C -0.724 173.401 174.600 -0.792 0.000 1.118 706 S CA -0.502 57.376 58.200 -0.537 0.000 1.075 706 S CB -0.289 62.661 63.200 -0.417 0.000 1.107 706 S HN 0.304 nan 8.310 nan 0.000 0.503 707 F N 2.213 122.054 119.950 -0.182 0.000 2.640 707 F HA 0.489 5.016 4.527 -0.000 0.000 0.324 707 F C -0.681 174.974 175.800 -0.241 0.000 1.077 707 F CA -1.228 56.660 58.000 -0.186 0.000 0.965 707 F CB 1.179 40.152 39.000 -0.044 0.000 1.351 707 F HN 0.274 nan 8.300 nan 0.000 0.487 708 Y N 0.963 121.382 120.300 0.198 0.000 2.369 708 Y HA 0.509 5.059 4.550 -0.000 0.000 0.337 708 Y C 0.733 176.662 175.900 0.049 0.000 0.961 708 Y CA -0.248 57.897 58.100 0.074 0.000 1.186 708 Y CB 1.044 39.517 38.460 0.021 0.000 1.139 708 Y HN 0.894 nan 8.280 nan 0.000 0.494 709 G N 1.953 110.852 108.800 0.165 0.000 2.697 709 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.240 709 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.240 709 G C -0.216 174.708 174.900 0.040 0.000 1.346 709 G CA -0.392 44.747 45.100 0.066 0.000 0.887 709 G HN 0.869 nan 8.290 nan 0.000 0.569 710 S N -0.965 114.735 115.700 -0.001 0.000 2.713 710 S HA 0.639 5.109 4.470 -0.000 0.000 0.277 710 S C 0.297 174.852 174.600 -0.075 0.000 1.168 710 S CA 0.312 58.484 58.200 -0.046 0.000 0.994 710 S CB 1.788 64.964 63.200 -0.040 0.000 1.054 710 S HN 1.061 nan 8.310 nan 0.000 0.555 711 E N -0.200 119.927 120.200 -0.122 0.000 2.384 711 E HA 0.211 4.561 4.350 -0.000 0.000 0.266 711 E C -1.068 175.461 176.600 -0.119 0.000 1.012 711 E CA -0.230 56.082 56.400 -0.146 0.000 0.901 711 E CB 0.312 29.923 29.700 -0.149 0.000 0.967 711 E HN 0.491 nan 8.360 nan 0.000 0.435 712 L N 4.341 125.469 121.223 -0.157 0.000 2.325 712 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 712 L C -0.110 176.714 176.870 -0.077 0.000 1.054 712 L CA -0.347 54.371 54.840 -0.203 0.000 0.804 712 L CB 1.313 43.160 42.059 -0.353 0.000 1.200 712 L HN 0.558 nan 8.230 nan 0.000 0.436 713 K N 3.288 123.711 120.400 0.038 0.000 2.562 713 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 713 K C -1.949 174.818 176.600 0.279 0.000 0.938 713 K CA -0.552 55.819 56.287 0.139 0.000 0.840 713 K CB 2.011 34.564 32.500 0.088 0.000 1.390 713 K HN 0.512 nan 8.250 nan 0.000 0.428 714 I N 2.236 122.944 120.570 0.229 0.000 2.569 714 I HA 0.373 4.542 4.170 -0.000 0.000 0.290 714 I C -1.213 175.026 176.117 0.203 0.000 1.088 714 I CA -0.611 60.830 61.300 0.235 0.000 1.047 714 I CB 2.249 40.395 38.000 0.243 0.000 1.237 714 I HN 0.709 nan 8.210 nan 0.000 0.421 715 E N 6.363 126.667 120.200 0.173 0.000 2.308 715 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 715 E C -1.629 175.042 176.600 0.118 0.000 0.890 715 E CA -0.815 55.666 56.400 0.135 0.000 0.754 715 E CB 2.643 32.405 29.700 0.104 0.000 1.207 715 E HN 0.520 nan 8.360 nan 0.000 0.426 716 K N 2.939 123.399 120.400 0.100 0.000 2.523 716 K HA 0.631 4.951 4.320 -0.000 0.000 0.257 716 K C -0.326 176.297 176.600 0.038 0.000 0.932 716 K CA 0.156 56.488 56.287 0.075 0.000 0.812 716 K CB 1.677 34.236 32.500 0.098 0.000 1.326 716 K HN 0.773 nan 8.250 nan 0.000 0.433 717 G N 2.233 111.046 108.800 0.021 0.000 2.632 717 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.224 717 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.224 717 G C -1.357 173.542 174.900 -0.002 0.000 1.341 717 G CA -0.096 45.003 45.100 -0.002 0.000 0.880 717 G HN 0.655 nan 8.290 nan 0.000 0.566 718 D N 0.437 120.826 120.400 -0.019 0.000 2.462 718 D HA 0.514 5.154 4.640 -0.000 0.000 0.245 718 D C 1.738 178.024 176.300 -0.024 0.000 1.122 718 D CA -0.489 53.506 54.000 -0.008 0.000 0.864 718 D CB 0.985 41.781 40.800 -0.006 0.000 1.098 718 D HN 0.349 nan 8.370 nan 0.000 0.541 719 L N 3.161 124.390 121.223 0.011 0.000 1.994 719 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 719 L C 2.469 179.439 176.870 0.166 0.000 1.071 719 L CA 1.033 55.889 54.840 0.028 0.000 0.745 719 L CB -0.165 41.996 42.059 0.171 0.000 0.892 719 L HN 0.367 nan 8.230 nan 0.000 0.431 720 K N 0.525 121.038 120.400 0.188 0.000 2.044 720 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 720 K C 2.234 178.916 176.600 0.136 0.000 1.049 720 K CA 1.913 58.315 56.287 0.191 0.000 0.927 720 K CB -0.051 32.506 32.500 0.095 0.000 0.713 720 K HN 0.085 nan 8.250 nan 0.000 0.443 721 K N -0.564 119.871 120.400 0.058 0.000 2.057 721 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 721 K C 2.058 178.648 176.600 -0.016 0.000 1.050 721 K CA 1.512 57.810 56.287 0.018 0.000 0.935 721 K CB -0.312 32.187 32.500 -0.003 0.000 0.715 721 K HN 0.306 nan 8.250 nan 0.000 0.439 722 G N 0.541 109.292 108.800 -0.082 0.000 2.446 722 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.217 722 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.217 722 G C 1.289 176.071 174.900 -0.197 0.000 1.168 722 G CA 0.821 45.803 45.100 -0.196 0.000 0.771 722 G HN 0.292 nan 8.290 nan 0.000 0.551 723 F N 1.578 121.501 119.950 -0.045 0.000 2.134 723 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 723 F C 3.154 178.920 175.800 -0.057 0.000 1.097 723 F CA 1.348 59.316 58.000 -0.054 0.000 1.264 723 F CB -0.199 38.772 39.000 -0.048 0.000 1.001 723 F HN 0.069 nan 8.300 nan 0.000 0.479 724 S N -0.305 115.475 115.700 0.134 0.000 2.400 724 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 724 S C 1.647 176.255 174.600 0.013 0.000 1.025 724 S CA 1.522 59.755 58.200 0.056 0.000 0.993 724 S CB -0.424 62.799 63.200 0.038 0.000 0.808 724 S HN 0.503 nan 8.310 nan 0.000 0.478 725 E N 1.080 121.275 120.200 -0.008 0.000 2.385 725 E HA 0.239 4.589 4.350 -0.000 0.000 0.194 725 E C 0.678 177.249 176.600 -0.049 0.000 1.013 725 E CA 0.089 56.469 56.400 -0.033 0.000 0.866 725 E CB 0.024 29.697 29.700 -0.045 0.000 0.832 725 E HN 0.416 nan 8.360 nan 0.000 0.500 726 A N 1.864 124.652 122.820 -0.053 0.000 2.477 726 A HA -0.025 4.295 4.320 -0.000 0.000 0.246 726 A C 0.464 177.973 177.584 -0.124 0.000 1.078 726 A CA -0.229 51.752 52.037 -0.093 0.000 0.770 726 A CB 0.326 19.277 19.000 -0.082 0.000 1.011 726 A HN -0.035 nan 8.150 nan 0.000 0.494 727 D N 0.909 121.203 120.400 -0.175 0.000 2.123 727 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 727 D C 0.126 176.262 176.300 -0.273 0.000 0.976 727 D CA 1.379 55.271 54.000 -0.181 0.000 0.831 727 D CB 0.093 40.797 40.800 -0.160 0.000 0.974 727 D HN 0.622 nan 8.370 nan 0.000 0.469 728 N N -0.359 118.022 118.700 -0.531 0.000 2.265 728 N HA 0.409 5.149 4.740 -0.000 0.000 0.300 728 N C -1.068 174.053 175.510 -0.648 0.000 1.148 728 N CA -0.474 52.169 53.050 -0.678 0.000 0.772 728 N CB 3.215 41.063 38.487 -1.065 0.000 1.434 728 N HN -0.274 nan 8.380 nan 0.000 0.481 729 V N 1.204 120.960 119.914 -0.263 0.000 2.567 729 V HA 0.340 4.460 4.120 -0.000 0.000 0.298 729 V C -0.468 175.701 176.094 0.124 0.000 1.047 729 V CA -0.743 61.566 62.300 0.016 0.000 0.880 729 V CB 2.046 33.895 31.823 0.043 0.000 1.009 729 V HN 0.354 nan 8.190 nan 0.000 0.429 730 V N 3.632 123.722 119.914 0.294 0.000 2.459 730 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 730 V C 0.184 176.334 176.094 0.093 0.000 1.029 730 V CA -0.065 62.371 62.300 0.226 0.000 0.874 730 V CB 2.207 34.235 31.823 0.342 0.000 0.985 730 V HN 0.893 nan 8.190 nan 0.000 0.438 731 S N 2.029 117.703 115.700 -0.044 0.000 2.568 731 S HA 0.969 5.439 4.470 -0.000 0.000 0.302 731 S C 0.134 174.475 174.600 -0.431 0.000 1.082 731 S CA -0.062 57.992 58.200 -0.243 0.000 1.009 731 S CB 1.958 65.056 63.200 -0.171 0.000 1.069 731 S HN 1.220 nan 8.310 nan 0.000 0.500 732 G N 0.644 108.926 108.800 -0.864 0.000 2.488 732 G HA2 0.541 4.501 3.960 -0.000 0.000 0.301 732 G HA3 0.541 4.501 3.960 -0.000 0.000 0.301 732 G C -2.094 172.491 174.900 -0.525 0.000 1.339 732 G CA -0.570 44.101 45.100 -0.716 0.000 0.803 732 G HN 0.621 nan 8.290 nan 0.000 0.482 733 E N -1.237 118.962 120.200 -0.003 0.000 2.343 733 E HA 0.735 5.085 4.350 -0.000 0.000 0.270 733 E C -1.962 174.867 176.600 0.382 0.000 0.895 733 E CA -0.775 55.750 56.400 0.208 0.000 0.767 733 E CB 2.639 32.417 29.700 0.129 0.000 1.248 733 E HN 0.575 nan 8.360 nan 0.000 0.440 734 L N 3.275 124.741 121.223 0.404 0.000 2.506 734 L HA 0.547 4.887 4.340 -0.000 0.000 0.257 734 L C -2.200 174.936 176.870 0.443 0.000 0.964 734 L CA -0.548 54.529 54.840 0.397 0.000 0.836 734 L CB 1.929 44.180 42.059 0.320 0.000 1.384 734 L HN 0.681 nan 8.230 nan 0.000 0.410 735 Y N 3.853 124.335 120.300 0.304 0.000 2.512 735 Y HA 0.824 5.374 4.550 -0.000 0.000 0.348 735 Y C -1.244 174.824 175.900 0.280 0.000 0.990 735 Y CA -0.919 57.348 58.100 0.278 0.000 1.033 735 Y CB 1.782 40.365 38.460 0.205 0.000 1.259 735 Y HN 0.477 nan 8.280 nan 0.000 0.461 736 I N 5.154 125.450 120.570 -0.458 0.000 2.468 736 I HA 0.465 4.635 4.170 -0.000 0.000 0.285 736 I C 0.448 176.175 176.117 -0.650 0.000 1.039 736 I CA -0.986 60.089 61.300 -0.375 0.000 1.074 736 I CB 1.688 39.565 38.000 -0.204 0.000 1.228 736 I HN 0.830 nan 8.210 nan 0.000 0.436 737 G N 3.657 112.271 108.800 -0.310 0.000 2.594 737 G HA2 0.434 4.394 3.960 -0.000 0.000 0.243 737 G HA3 0.434 4.394 3.960 -0.000 0.000 0.243 737 G C 0.540 175.365 174.900 -0.125 0.000 1.229 737 G CA 0.010 45.058 45.100 -0.087 0.000 0.843 737 G HN 0.756 nan 8.290 nan 0.000 0.578 738 G N -1.265 107.529 108.800 -0.011 0.000 2.486 738 G HA2 0.476 4.436 3.960 -0.000 0.000 0.272 738 G HA3 0.476 4.436 3.960 -0.000 0.000 0.272 738 G C -0.146 174.717 174.900 -0.063 0.000 1.426 738 G CA -0.087 44.998 45.100 -0.024 0.000 1.058 738 G HN 0.775 nan 8.290 nan 0.000 0.531 739 Q N -1.297 118.477 119.800 -0.042 0.000 2.403 739 Q HA 0.158 4.498 4.340 -0.000 0.000 0.267 739 Q C -2.166 173.914 176.000 0.133 0.000 0.991 739 Q CA -0.665 55.138 55.803 -0.001 0.000 0.906 739 Q CB 2.120 30.646 28.738 -0.353 0.000 1.422 739 Q HN 0.624 nan 8.270 nan 0.000 0.400 740 D N 1.535 121.980 120.400 0.075 0.000 2.256 740 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 740 D C 0.373 176.730 176.300 0.095 0.000 1.093 740 D CA 0.080 54.035 54.000 -0.076 0.000 0.882 740 D CB 0.908 41.401 40.800 -0.512 0.000 1.185 740 D HN 0.720 nan 8.370 nan 0.000 0.437 741 H N 3.204 122.173 119.070 -0.168 0.000 2.353 741 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 741 H C 0.568 175.668 175.328 -0.382 0.000 1.103 741 H CA 1.074 56.746 56.048 -0.626 0.000 1.293 741 H CB -0.276 28.957 29.762 -0.883 0.000 1.372 741 H HN 0.517 nan 8.280 nan 0.000 0.501 742 F N 0.346 120.029 119.950 -0.445 0.000 3.004 742 F HA -0.271 4.256 4.527 -0.000 0.000 0.264 742 F C -0.786 174.912 175.800 -0.170 0.000 0.979 742 F CA -0.520 57.329 58.000 -0.252 0.000 0.896 742 F CB -1.671 37.344 39.000 0.024 0.000 0.813 742 F HN 0.116 nan 8.300 nan 0.000 0.804 743 Y N -0.216 120.168 120.300 0.139 0.000 2.511 743 Y HA 0.203 4.752 4.550 -0.000 0.000 0.332 743 Y C 1.101 176.991 175.900 -0.015 0.000 1.177 743 Y CA -1.377 56.849 58.100 0.209 0.000 1.422 743 Y CB 0.070 38.549 38.460 0.032 0.000 1.271 743 Y HN 0.099 nan 8.280 nan 0.000 0.550 744 L N 1.102 122.471 121.223 0.243 0.000 2.131 744 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 744 L C 0.955 177.766 176.870 -0.099 0.000 1.092 744 L CA 1.490 56.447 54.840 0.194 0.000 0.759 744 L CB -0.645 41.646 42.059 0.388 0.000 0.903 744 L HN 0.871 nan 8.230 nan 0.000 0.435 745 E N 0.597 120.475 120.200 -0.538 0.000 2.115 745 E HA 0.171 4.520 4.350 -0.000 0.000 0.282 745 E C -0.051 176.264 176.600 -0.475 0.000 0.987 745 E CA -0.319 55.447 56.400 -1.055 0.000 0.797 745 E CB 0.970 29.812 29.700 -1.430 0.000 1.086 745 E HN 0.237 nan 8.360 nan 0.000 0.397 746 T N 1.535 115.918 114.554 -0.285 0.000 2.726 746 T HA 0.104 4.454 4.350 -0.000 0.000 0.294 746 T C 0.619 175.113 174.700 -0.342 0.000 1.013 746 T CA -0.593 61.398 62.100 -0.181 0.000 0.996 746 T CB 0.417 69.292 68.868 0.012 0.000 1.016 746 T HN 0.448 nan 8.240 nan 0.000 0.529 747 H N -0.899 118.027 119.070 -0.240 0.000 2.972 747 H HA 0.278 4.834 4.556 -0.000 0.000 0.343 747 H C 0.070 175.337 175.328 -0.102 0.000 1.054 747 H CA 0.253 56.177 56.048 -0.206 0.000 1.412 747 H CB 0.375 30.066 29.762 -0.118 0.000 1.385 747 H HN 0.729 nan 8.280 nan 0.000 0.600 748 C N 2.895 122.207 119.300 0.020 0.000 3.006 748 C HA 0.410 4.870 4.460 -0.000 0.000 0.359 748 C C -0.735 174.288 174.990 0.055 0.000 1.103 748 C CA -0.204 58.839 59.018 0.042 0.000 1.286 748 C CB 1.299 29.049 27.740 0.017 0.000 1.694 748 C HN 0.890 nan 8.230 nan 0.000 0.511 749 T N 5.440 120.039 114.554 0.075 0.000 2.956 749 T HA 0.590 4.940 4.350 -0.000 0.000 0.312 749 T C -1.237 173.522 174.700 0.097 0.000 1.151 749 T CA -0.237 61.912 62.100 0.082 0.000 1.024 749 T CB 1.188 70.094 68.868 0.062 0.000 1.140 749 T HN 0.582 nan 8.240 nan 0.000 0.473 750 I N 2.298 122.954 120.570 0.143 0.000 2.436 750 I HA 0.689 4.859 4.170 -0.000 0.000 0.289 750 I C -0.139 176.088 176.117 0.183 0.000 1.010 750 I CA -0.967 60.433 61.300 0.167 0.000 1.098 750 I CB 1.686 39.830 38.000 0.239 0.000 1.266 750 I HN 0.699 nan 8.210 nan 0.000 0.434 751 A N 7.859 130.751 122.820 0.120 0.000 2.304 751 A HA 0.768 5.088 4.320 -0.000 0.000 0.314 751 A C -0.751 176.890 177.584 0.095 0.000 1.187 751 A CA -0.458 51.630 52.037 0.085 0.000 0.810 751 A CB 0.748 19.778 19.000 0.049 0.000 1.183 751 A HN 0.517 nan 8.150 nan 0.000 0.487 752 I N 4.810 125.436 120.570 0.094 0.000 2.354 752 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 752 I C -2.425 173.698 176.117 0.009 0.000 1.007 752 I CA -2.566 58.775 61.300 0.068 0.000 1.167 752 I CB 1.390 39.480 38.000 0.149 0.000 1.320 752 I HN 0.394 nan 8.210 nan 0.000 0.458 753 P HA 0.241 nan 4.420 nan 0.000 0.287 753 P C 0.017 177.291 177.300 -0.043 0.000 1.294 753 P CA -0.495 62.599 63.100 -0.011 0.000 0.776 753 P CB 1.502 33.201 31.700 -0.001 0.000 0.889 754 K N 2.409 122.793 120.400 -0.027 0.000 2.418 754 K HA 0.082 4.402 4.320 -0.000 0.000 0.195 754 K C 1.517 178.096 176.600 -0.036 0.000 1.035 754 K CA 0.764 57.029 56.287 -0.037 0.000 1.003 754 K CB -0.760 31.727 32.500 -0.021 0.000 0.793 754 K HN 0.834 nan 8.250 nan 0.000 0.494 755 G N 1.779 110.564 108.800 -0.024 0.000 2.162 755 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 755 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 755 G C -0.310 174.583 174.900 -0.012 0.000 0.976 755 G CA 0.324 45.410 45.100 -0.024 0.000 0.655 755 G HN 0.400 nan 8.290 nan 0.000 0.533 756 E N -0.005 120.193 120.200 -0.004 0.000 2.246 756 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 756 E C 0.178 176.781 176.600 0.006 0.000 0.880 756 E CA -0.899 55.500 56.400 -0.001 0.000 0.762 756 E CB 1.028 30.724 29.700 -0.007 0.000 1.180 756 E HN 0.144 nan 8.360 nan 0.000 0.416 757 E N 1.250 121.457 120.200 0.010 0.000 2.494 757 E HA -0.303 4.046 4.350 -0.000 0.000 0.249 757 E C 0.725 177.334 176.600 0.016 0.000 1.184 757 E CA 1.237 57.644 56.400 0.011 0.000 0.727 757 E CB -1.471 28.231 29.700 0.003 0.000 1.281 757 E HN 1.126 nan 8.360 nan 0.000 0.405 758 G N -0.067 108.753 108.800 0.034 0.000 2.189 758 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.267 758 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.267 758 G C 0.160 175.074 174.900 0.024 0.000 0.975 758 G CA 0.676 45.801 45.100 0.043 0.000 0.644 758 G HN 0.424 nan 8.290 nan 0.000 0.537 759 E N -0.280 119.927 120.200 0.012 0.000 2.452 759 E HA 0.422 4.772 4.350 -0.000 0.000 0.261 759 E C 0.359 176.959 176.600 -0.000 0.000 0.987 759 E CA 0.586 56.985 56.400 -0.002 0.000 0.926 759 E CB 0.570 30.266 29.700 -0.007 0.000 0.934 759 E HN 0.482 nan 8.360 nan 0.000 0.452 760 M N 2.393 121.984 119.600 -0.014 0.000 2.365 760 M HA 0.214 4.694 4.480 -0.000 0.000 0.287 760 M C -1.734 174.534 176.300 -0.053 0.000 1.154 760 M CA -0.421 54.868 55.300 -0.018 0.000 0.941 760 M CB 2.168 34.767 32.600 -0.003 0.000 1.704 760 M HN 0.434 nan 8.290 nan 0.000 0.479 761 E N 3.834 123.993 120.200 -0.068 0.000 2.176 761 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 761 E C -2.077 174.384 176.600 -0.232 0.000 0.893 761 E CA -0.647 55.654 56.400 -0.164 0.000 0.761 761 E CB 1.478 31.095 29.700 -0.138 0.000 1.133 761 E HN 0.597 nan 8.360 nan 0.000 0.409 762 L N 4.304 125.322 121.223 -0.343 0.000 2.365 762 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 762 L C -1.089 175.481 176.870 -0.500 0.000 1.000 762 L CA -0.432 54.235 54.840 -0.289 0.000 0.819 762 L CB 1.295 43.282 42.059 -0.120 0.000 1.284 762 L HN 0.514 nan 8.230 nan 0.000 0.418 763 F N 2.613 122.570 119.950 0.010 0.000 2.361 763 F HA 0.703 5.229 4.527 -0.000 0.000 0.364 763 F C -0.066 175.733 175.800 -0.001 0.000 1.117 763 F CA -0.817 57.186 58.000 0.004 0.000 1.071 763 F CB 1.468 40.476 39.000 0.014 0.000 1.188 763 F HN 0.042 nan 8.300 nan 0.000 0.464 764 V N 1.421 121.385 119.914 0.085 0.000 2.876 764 V HA 0.368 4.488 4.120 -0.000 0.000 0.312 764 V C -0.329 175.769 176.094 0.007 0.000 1.085 764 V CA -1.051 61.273 62.300 0.040 0.000 0.945 764 V CB 2.210 34.030 31.823 -0.005 0.000 1.017 764 V HN 0.628 nan 8.190 nan 0.000 0.428 765 S N 2.432 118.117 115.700 -0.024 0.000 2.955 765 S HA 0.502 4.972 4.470 -0.000 0.000 0.294 765 S C -0.200 174.320 174.600 -0.134 0.000 1.198 765 S CA -0.006 58.137 58.200 -0.096 0.000 1.008 765 S CB -0.371 62.728 63.200 -0.168 0.000 1.279 765 S HN 0.983 nan 8.310 nan 0.000 0.508 766 T N 3.024 117.515 114.554 -0.105 0.000 2.894 766 T HA 0.352 4.702 4.350 -0.000 0.000 0.309 766 T C 0.123 174.767 174.700 -0.093 0.000 1.208 766 T CA -0.531 61.510 62.100 -0.099 0.000 1.016 766 T CB 1.662 70.492 68.868 -0.062 0.000 1.192 766 T HN 0.519 nan 8.240 nan 0.000 0.491 767 Q N 1.552 121.303 119.800 -0.081 0.000 2.360 767 Q HA 0.266 4.606 4.340 -0.000 0.000 0.202 767 Q C 0.039 176.020 176.000 -0.033 0.000 0.915 767 Q CA -0.028 55.741 55.803 -0.057 0.000 0.943 767 Q CB 0.327 29.043 28.738 -0.036 0.000 1.064 767 Q HN 0.306 nan 8.270 nan 0.000 0.511 768 N N 0.006 118.675 118.700 -0.052 0.000 2.716 768 N HA 0.286 5.026 4.740 -0.000 0.000 0.253 768 N C -0.376 175.075 175.510 -0.099 0.000 1.170 768 N CA -0.068 52.941 53.050 -0.067 0.000 0.807 768 N CB 1.160 39.598 38.487 -0.082 0.000 1.183 768 N HN 0.090 nan 8.380 nan 0.000 0.524 769 A N 3.298 126.069 122.820 -0.082 0.000 1.930 769 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 769 A C 2.109 179.629 177.584 -0.106 0.000 1.175 769 A CA 0.977 52.959 52.037 -0.091 0.000 0.627 769 A CB -0.300 18.654 19.000 -0.078 0.000 0.815 769 A HN 0.688 nan 8.150 nan 0.000 0.443 770 M N -0.725 118.818 119.600 -0.096 0.000 2.065 770 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 770 M C 1.817 178.010 176.300 -0.178 0.000 1.069 770 M CA 1.931 57.170 55.300 -0.101 0.000 1.110 770 M CB -0.163 32.397 32.600 -0.067 0.000 1.328 770 M HN 0.130 nan 8.290 nan 0.000 0.405 771 K N -0.195 120.039 120.400 -0.278 0.000 2.148 771 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 771 K C 1.899 178.129 176.600 -0.617 0.000 1.050 771 K CA 1.849 57.786 56.287 -0.583 0.000 0.942 771 K CB -0.879 31.179 32.500 -0.736 0.000 0.724 771 K HN 0.468 nan 8.250 nan 0.000 0.446 772 T N 1.641 115.993 114.554 -0.337 0.000 2.746 772 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 772 T C 1.936 176.566 174.700 -0.117 0.000 1.039 772 T CA 1.407 63.391 62.100 -0.193 0.000 1.142 772 T CB -0.062 68.735 68.868 -0.118 0.000 0.866 772 T HN 0.360 nan 8.240 nan 0.000 0.444 773 Q N 1.029 120.759 119.800 -0.118 0.000 2.020 773 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 773 Q C 2.534 178.514 176.000 -0.034 0.000 0.982 773 Q CA 2.160 57.920 55.803 -0.072 0.000 0.838 773 Q CB -0.206 28.488 28.738 -0.073 0.000 0.899 773 Q HN 0.654 nan 8.270 nan 0.000 0.423 774 S N -0.318 115.360 115.700 -0.038 0.000 2.383 774 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 774 S C 1.787 176.509 174.600 0.203 0.000 1.026 774 S CA 0.874 59.105 58.200 0.052 0.000 0.981 774 S CB -0.569 62.662 63.200 0.053 0.000 0.818 774 S HN 0.351 nan 8.310 nan 0.000 0.472 775 F N 1.921 121.836 119.950 -0.058 0.000 2.186 775 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 775 F C 2.606 178.359 175.800 -0.078 0.000 1.090 775 F CA -0.473 57.488 58.000 -0.065 0.000 1.307 775 F CB -1.259 37.706 39.000 -0.058 0.000 1.019 775 F HN 0.094 nan 8.300 nan 0.000 0.489 776 V N -0.100 119.886 119.914 0.121 0.000 2.358 776 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 776 V C 2.602 178.687 176.094 -0.016 0.000 1.047 776 V CA 1.640 63.953 62.300 0.022 0.000 1.035 776 V CB -1.239 30.581 31.823 -0.004 0.000 0.658 776 V HN 0.308 nan 8.190 nan 0.000 0.452 777 A N -0.473 122.346 122.820 -0.002 0.000 1.930 777 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 777 A C 2.321 179.881 177.584 -0.041 0.000 1.175 777 A CA 2.037 54.058 52.037 -0.027 0.000 0.627 777 A CB -0.415 18.576 19.000 -0.016 0.000 0.815 777 A HN 0.513 nan 8.150 nan 0.000 0.443 778 K N -0.999 119.391 120.400 -0.018 0.000 2.025 778 K HA -0.124 4.195 4.320 -0.000 0.000 0.207 778 K C 2.156 178.702 176.600 -0.090 0.000 1.049 778 K CA 1.548 57.806 56.287 -0.048 0.000 0.933 778 K CB -0.229 32.243 32.500 -0.046 0.000 0.714 778 K HN 0.418 nan 8.250 nan 0.000 0.438 779 M N 1.104 120.643 119.600 -0.101 0.000 2.117 779 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 779 M C 1.633 177.827 176.300 -0.178 0.000 1.065 779 M CA 1.630 56.844 55.300 -0.143 0.000 1.114 779 M CB -0.368 32.142 32.600 -0.150 0.000 1.361 779 M HN 0.232 nan 8.290 nan 0.000 0.408 780 L N -0.384 120.730 121.223 -0.182 0.000 2.341 780 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 780 L C 1.285 178.020 176.870 -0.225 0.000 1.115 780 L CA 0.577 55.254 54.840 -0.273 0.000 0.820 780 L CB -0.687 41.233 42.059 -0.232 0.000 0.944 780 L HN 0.614 nan 8.230 nan 0.000 0.452 781 G N 1.259 109.974 108.800 -0.142 0.000 2.256 781 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.272 781 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.272 781 G C -0.050 174.799 174.900 -0.084 0.000 1.076 781 G CA 0.284 45.321 45.100 -0.105 0.000 0.882 781 G HN 0.303 nan 8.290 nan 0.000 0.497 782 V N -3.825 116.045 119.914 -0.074 0.000 3.102 782 V HA 0.963 5.083 4.120 -0.000 0.000 0.312 782 V C -2.228 173.843 176.094 -0.039 0.000 1.135 782 V CA -2.875 59.395 62.300 -0.051 0.000 1.022 782 V CB 1.961 33.755 31.823 -0.048 0.000 1.056 782 V HN 0.064 nan 8.190 nan 0.000 0.436 783 P HA 0.242 nan 4.420 nan 0.000 0.269 783 P C 0.945 178.230 177.300 -0.025 0.000 1.215 783 P CA -0.099 62.986 63.100 -0.025 0.000 0.780 783 P CB 0.865 32.552 31.700 -0.022 0.000 0.898 784 V N 1.543 121.443 119.914 -0.023 0.000 2.594 784 V HA -0.223 3.896 4.120 -0.000 0.000 0.253 784 V C 1.808 177.887 176.094 -0.025 0.000 1.069 784 V CA 2.126 64.412 62.300 -0.023 0.000 1.082 784 V CB -1.390 30.420 31.823 -0.021 0.000 0.680 784 V HN 0.679 nan 8.190 nan 0.000 0.469 785 N N 0.515 119.202 118.700 -0.023 0.000 2.609 785 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 785 N C 1.536 177.033 175.510 -0.022 0.000 1.157 785 N CA 0.772 53.809 53.050 -0.022 0.000 0.918 785 N CB -0.349 38.127 38.487 -0.018 0.000 0.978 785 N HN 0.294 nan 8.380 nan 0.000 0.448 786 R N -0.140 120.346 120.500 -0.023 0.000 2.280 786 R HA 0.234 4.574 4.340 -0.000 0.000 0.195 786 R C -0.046 176.237 176.300 -0.028 0.000 0.935 786 R CA 0.035 56.122 56.100 -0.022 0.000 1.033 786 R CB 0.252 30.541 30.300 -0.018 0.000 0.964 786 R HN 0.259 nan 8.270 nan 0.000 0.489 787 I N 1.849 122.398 120.570 -0.035 0.000 2.354 787 I HA 0.265 4.434 4.170 -0.000 0.000 0.292 787 I C -0.285 175.795 176.117 -0.060 0.000 0.989 787 I CA -1.602 59.670 61.300 -0.046 0.000 1.188 787 I CB 1.351 39.325 38.000 -0.043 0.000 1.342 787 I HN -0.157 nan 8.210 nan 0.000 0.457 788 L N 8.147 129.321 121.223 -0.082 0.000 2.325 788 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 788 L C -0.892 175.885 176.870 -0.156 0.000 1.004 788 L CA -0.321 54.455 54.840 -0.107 0.000 0.823 788 L CB 1.683 43.677 42.059 -0.109 0.000 1.236 788 L HN 0.290 nan 8.230 nan 0.000 0.415 789 V N 5.946 125.774 119.914 -0.143 0.000 2.409 789 V HA 0.590 4.710 4.120 -0.000 0.000 0.291 789 V C -0.120 175.871 176.094 -0.171 0.000 1.020 789 V CA -0.582 61.618 62.300 -0.167 0.000 0.848 789 V CB 1.520 33.271 31.823 -0.119 0.000 0.990 789 V HN 0.712 nan 8.190 nan 0.000 0.430 790 R N 3.515 123.872 120.500 -0.239 0.000 2.387 790 R HA 0.767 5.106 4.340 -0.000 0.000 0.314 790 R C -1.446 174.813 176.300 -0.068 0.000 0.958 790 R CA -0.668 55.331 56.100 -0.167 0.000 0.846 790 R CB 2.336 32.489 30.300 -0.245 0.000 1.147 790 R HN 0.483 nan 8.270 nan 0.000 0.447 791 V N 3.808 123.703 119.914 -0.032 0.000 2.357 791 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 791 V C 0.761 176.860 176.094 0.009 0.000 1.015 791 V CA -0.567 61.728 62.300 -0.008 0.000 0.827 791 V CB 1.333 33.130 31.823 -0.043 0.000 1.018 791 V HN 0.805 nan 8.190 nan 0.000 0.432 792 K N 4.191 124.612 120.400 0.036 0.000 2.021 792 K HA 0.161 4.481 4.320 -0.000 0.000 0.205 792 K C 0.797 177.398 176.600 0.001 0.000 1.047 792 K CA 0.971 57.270 56.287 0.020 0.000 0.943 792 K CB 0.383 32.890 32.500 0.013 0.000 0.725 792 K HN 0.788 nan 8.250 nan 0.000 0.439 793 R N -1.208 119.271 120.500 -0.035 0.000 2.741 793 R HA 0.347 4.686 4.340 -0.000 0.000 0.276 793 R C -1.582 174.702 176.300 -0.025 0.000 1.028 793 R CA -0.871 55.196 56.100 -0.055 0.000 0.865 793 R CB 0.798 31.028 30.300 -0.117 0.000 1.268 793 R HN -0.091 nan 8.270 nan 0.000 0.475 794 M N 0.547 120.140 119.600 -0.012 0.000 2.464 794 M HA 0.412 4.892 4.480 -0.000 0.000 0.308 794 M C 0.216 176.559 176.300 0.071 0.000 1.127 794 M CA -0.773 54.513 55.300 -0.023 0.000 0.913 794 M CB 2.576 35.082 32.600 -0.157 0.000 1.689 794 M HN 0.922 nan 8.290 nan 0.000 0.445 795 G N 1.604 110.405 108.800 0.003 0.000 3.458 795 G HA2 0.512 4.472 3.960 -0.000 0.000 0.256 795 G HA3 0.512 4.472 3.960 -0.000 0.000 0.256 795 G C 0.324 175.153 174.900 -0.117 0.000 0.938 795 G CA 0.225 45.283 45.100 -0.069 0.000 1.890 795 G HN 1.104 nan 8.290 nan 0.000 0.639 796 G N -1.096 107.633 108.800 -0.118 0.000 2.719 796 G HA2 0.359 4.319 3.960 -0.000 0.000 0.686 796 G HA3 0.359 4.319 3.960 -0.000 0.000 0.686 796 G C 0.528 175.241 174.900 -0.312 0.000 1.201 796 G CA -0.330 44.621 45.100 -0.249 0.000 0.768 796 G HN 1.233 nan 8.290 nan 0.000 0.629 797 G N -0.524 107.939 108.800 -0.561 0.000 2.645 797 G HA2 0.535 4.495 3.960 -0.000 0.000 0.208 797 G HA3 0.535 4.495 3.960 -0.000 0.000 0.208 797 G C 0.889 175.757 174.900 -0.054 0.000 1.264 797 G CA 0.837 45.772 45.100 -0.275 0.000 0.586 797 G HN 1.706 nan 8.290 nan 0.000 0.952 798 F N 0.956 120.943 119.950 0.061 0.000 3.093 798 F HA -0.205 4.322 4.527 -0.000 0.000 0.283 798 F C 1.991 177.846 175.800 0.093 0.000 0.848 798 F CA 1.051 59.088 58.000 0.063 0.000 1.059 798 F CB -1.439 37.544 39.000 -0.027 0.000 1.191 798 F HN 1.123 nan 8.300 nan 0.000 0.514 799 G N -1.162 107.733 108.800 0.158 0.000 2.254 799 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 799 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 799 G C 1.120 176.063 174.900 0.070 0.000 1.003 799 G CA 0.065 45.288 45.100 0.206 0.000 0.622 799 G HN 1.191 nan 8.290 nan 0.000 0.507 800 G N 0.030 108.645 108.800 -0.308 0.000 2.598 800 G HA2 0.209 4.169 3.960 -0.000 0.000 0.215 800 G HA3 0.209 4.169 3.960 -0.000 0.000 0.215 800 G C 1.156 175.989 174.900 -0.111 0.000 1.131 800 G CA 1.329 45.981 45.100 -0.746 0.000 0.785 800 G HN 0.514 nan 8.290 nan 0.000 0.539 801 K N -0.240 120.100 120.400 -0.100 0.000 2.478 801 K HA 0.185 4.505 4.320 -0.000 0.000 0.205 801 K C 1.407 178.002 176.600 -0.009 0.000 1.033 801 K CA -0.122 56.123 56.287 -0.071 0.000 1.091 801 K CB 0.698 33.018 32.500 -0.301 0.000 0.844 801 K HN 0.328 nan 8.250 nan 0.000 0.507 802 E N 0.698 120.921 120.200 0.039 0.000 2.158 802 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 802 E C 1.237 177.871 176.600 0.056 0.000 0.982 802 E CA 1.752 58.191 56.400 0.065 0.000 0.823 802 E CB 0.456 30.240 29.700 0.139 0.000 0.766 802 E HN 0.290 nan 8.360 nan 0.000 0.468 803 T N -2.998 111.606 114.554 0.083 0.000 3.434 803 T HA 0.165 4.515 4.350 -0.000 0.000 0.279 803 T C 1.571 176.322 174.700 0.085 0.000 0.955 803 T CA -0.552 61.593 62.100 0.074 0.000 1.048 803 T CB -0.245 68.709 68.868 0.142 0.000 1.186 803 T HN -0.096 nan 8.240 nan 0.000 0.485 804 R N 2.857 123.412 120.500 0.091 0.000 2.293 804 R HA 0.078 4.418 4.340 -0.000 0.000 0.219 804 R C 2.550 178.787 176.300 -0.105 0.000 1.091 804 R CA 1.302 57.415 56.100 0.021 0.000 1.004 804 R CB -1.297 29.014 30.300 0.018 0.000 0.865 804 R HN 0.766 nan 8.270 nan 0.000 0.469 805 S N 0.077 115.786 115.700 0.014 0.000 2.474 805 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 805 S C 1.874 176.476 174.600 0.003 0.000 0.997 805 S CA 1.356 59.584 58.200 0.047 0.000 0.949 805 S CB -0.589 62.719 63.200 0.181 0.000 0.766 805 S HN 0.470 nan 8.310 nan 0.000 0.517 806 T N 0.906 115.475 114.554 0.026 0.000 2.962 806 T HA 0.128 4.478 4.350 -0.000 0.000 0.270 806 T C 1.686 176.423 174.700 0.061 0.000 1.088 806 T CA 0.708 62.852 62.100 0.074 0.000 1.127 806 T CB -0.807 68.194 68.868 0.221 0.000 0.883 806 T HN 0.405 nan 8.240 nan 0.000 0.493 807 L N 0.506 121.740 121.223 0.020 0.000 2.079 807 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 807 L C 2.839 179.719 176.870 0.017 0.000 1.081 807 L CA 0.992 55.841 54.840 0.015 0.000 0.752 807 L CB -0.607 41.445 42.059 -0.012 0.000 0.896 807 L HN 0.213 nan 8.230 nan 0.000 0.433 808 V N -1.562 118.350 119.914 -0.003 0.000 2.446 808 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 808 V C 2.480 178.597 176.094 0.037 0.000 1.039 808 V CA 1.524 63.843 62.300 0.031 0.000 1.045 808 V CB 0.095 31.939 31.823 0.035 0.000 0.681 808 V HN 0.315 nan 8.190 nan 0.000 0.459 809 S N 0.466 116.184 115.700 0.029 0.000 2.370 809 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 809 S C 2.029 176.636 174.600 0.012 0.000 1.033 809 S CA 1.597 59.812 58.200 0.025 0.000 1.011 809 S CB -0.261 62.949 63.200 0.016 0.000 0.852 809 S HN 0.381 nan 8.310 nan 0.000 0.457 810 V N 1.942 121.857 119.914 0.002 0.000 2.358 810 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 810 V C 2.646 178.685 176.094 -0.091 0.000 1.047 810 V CA 1.575 63.848 62.300 -0.046 0.000 1.035 810 V CB -1.252 30.531 31.823 -0.067 0.000 0.658 810 V HN 0.537 nan 8.190 nan 0.000 0.452 811 A N -0.056 122.723 122.820 -0.068 0.000 1.877 811 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 811 A C 2.391 180.004 177.584 0.049 0.000 1.186 811 A CA 2.068 54.096 52.037 -0.016 0.000 0.620 811 A CB -0.688 18.396 19.000 0.141 0.000 0.822 811 A HN 0.330 nan 8.150 nan 0.000 0.443 812 V N -0.087 119.856 119.914 0.049 0.000 2.343 812 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 812 V C 3.053 179.172 176.094 0.041 0.000 1.051 812 V CA 1.843 64.174 62.300 0.051 0.000 1.036 812 V CB -1.271 30.582 31.823 0.051 0.000 0.654 812 V HN 0.617 nan 8.190 nan 0.000 0.451 813 A N -0.004 122.831 122.820 0.025 0.000 1.908 813 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 813 A C 2.184 179.802 177.584 0.056 0.000 1.181 813 A CA 2.230 54.283 52.037 0.027 0.000 0.627 813 A CB -0.620 18.379 19.000 -0.002 0.000 0.818 813 A HN 0.466 nan 8.150 nan 0.000 0.445 814 L N -0.256 120.985 121.223 0.030 0.000 2.046 814 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 814 L C 2.662 179.614 176.870 0.137 0.000 1.077 814 L CA 2.268 57.155 54.840 0.077 0.000 0.747 814 L CB -0.761 41.300 42.059 0.004 0.000 0.896 814 L HN 0.344 nan 8.230 nan 0.000 0.432 815 A N -0.542 122.331 122.820 0.088 0.000 1.902 815 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 815 A C 2.441 180.046 177.584 0.036 0.000 1.181 815 A CA 1.823 53.891 52.037 0.051 0.000 0.623 815 A CB -1.145 17.874 19.000 0.031 0.000 0.818 815 A HN 0.587 nan 8.150 nan 0.000 0.443 816 A N -1.424 121.430 122.820 0.056 0.000 1.930 816 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 816 A C 2.131 179.750 177.584 0.057 0.000 1.175 816 A CA 1.599 53.666 52.037 0.050 0.000 0.627 816 A CB -0.791 18.241 19.000 0.053 0.000 0.815 816 A HN 0.790 nan 8.150 nan 0.000 0.443 817 Y N 1.211 121.507 120.300 -0.006 0.000 2.145 817 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 817 Y C 2.290 178.189 175.900 -0.001 0.000 1.145 817 Y CA 2.549 60.644 58.100 -0.007 0.000 1.148 817 Y CB -0.331 38.120 38.460 -0.015 0.000 0.981 817 Y HN 0.269 nan 8.280 nan 0.000 0.507 818 K N 0.331 120.615 120.400 -0.193 0.000 2.026 818 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 818 K C 2.071 178.546 176.600 -0.208 0.000 1.048 818 K CA 2.596 58.726 56.287 -0.261 0.000 0.929 818 K CB -1.102 31.376 32.500 -0.038 0.000 0.713 818 K HN 0.502 nan 8.250 nan 0.000 0.439 819 T N -3.902 110.580 114.554 -0.120 0.000 3.014 819 T HA 0.167 4.517 4.350 -0.000 0.000 0.263 819 T C 1.567 176.296 174.700 0.048 0.000 1.078 819 T CA 0.759 62.808 62.100 -0.086 0.000 1.135 819 T CB -0.463 68.307 68.868 -0.164 0.000 0.895 819 T HN 0.499 nan 8.240 nan 0.000 0.480 820 G N 1.064 109.868 108.800 0.008 0.000 2.143 820 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 820 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 820 G C -0.028 174.916 174.900 0.074 0.000 0.981 820 G CA 0.305 45.415 45.100 0.016 0.000 0.665 820 G HN 0.789 nan 8.290 nan 0.000 0.528 821 H N 0.529 119.548 119.070 -0.084 0.000 2.573 821 H HA 0.384 4.940 4.556 -0.000 0.000 0.351 821 H C -2.336 172.944 175.328 -0.080 0.000 1.163 821 H CA -1.916 54.081 56.048 -0.084 0.000 1.205 821 H CB 2.382 32.104 29.762 -0.067 0.000 1.605 821 H HN 0.091 nan 8.280 nan 0.000 0.525 822 P HA 0.050 nan 4.420 nan 0.000 0.271 822 P C -0.647 176.659 177.300 0.010 0.000 1.218 822 P CA -0.108 63.003 63.100 0.018 0.000 0.780 822 P CB 1.267 32.990 31.700 0.038 0.000 0.901 823 V N 3.176 123.085 119.914 -0.008 0.000 2.925 823 V HA 0.627 4.747 4.120 -0.000 0.000 0.311 823 V C 0.243 176.295 176.094 -0.071 0.000 1.104 823 V CA -0.728 61.526 62.300 -0.076 0.000 0.954 823 V CB 2.383 34.187 31.823 -0.031 0.000 1.022 823 V HN 0.708 nan 8.190 nan 0.000 0.427 824 R N 1.587 121.995 120.500 -0.153 0.000 2.799 824 R HA 0.929 5.269 4.340 -0.000 0.000 0.270 824 R C -1.516 174.805 176.300 0.034 0.000 1.010 824 R CA -0.637 55.432 56.100 -0.053 0.000 0.916 824 R CB 1.861 32.118 30.300 -0.071 0.000 1.228 824 R HN 0.778 nan 8.270 nan 0.000 0.469 825 C N 2.932 122.288 119.300 0.093 0.000 2.832 825 C HA 0.587 5.047 4.460 -0.000 0.000 0.383 825 C C -1.169 173.897 174.990 0.126 0.000 1.046 825 C CA -0.568 58.532 59.018 0.137 0.000 1.242 825 C CB 1.228 29.040 27.740 0.121 0.000 1.693 825 C HN 1.005 nan 8.230 nan 0.000 0.497 826 M N 6.761 126.445 119.600 0.140 0.000 2.243 826 M HA 0.590 5.070 4.480 -0.000 0.000 0.324 826 M C -1.282 175.086 176.300 0.113 0.000 1.031 826 M CA -0.578 54.789 55.300 0.113 0.000 0.949 826 M CB 1.247 33.914 32.600 0.112 0.000 1.615 826 M HN 0.722 nan 8.290 nan 0.000 0.430 827 L N 3.993 125.281 121.223 0.110 0.000 2.397 827 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 827 L C 0.062 176.998 176.870 0.110 0.000 1.148 827 L CA -0.467 54.443 54.840 0.117 0.000 0.825 827 L CB 0.389 42.532 42.059 0.139 0.000 1.117 827 L HN 0.653 nan 8.230 nan 0.000 0.456 828 D N 1.160 121.627 120.400 0.112 0.000 2.344 828 D HA 0.043 4.683 4.640 -0.000 0.000 0.244 828 D C 0.920 177.302 176.300 0.137 0.000 1.134 828 D CA -0.333 53.739 54.000 0.121 0.000 0.930 828 D CB 1.113 41.977 40.800 0.107 0.000 1.175 828 D HN 0.325 nan 8.370 nan 0.000 0.437 829 R N 1.699 122.291 120.500 0.152 0.000 2.091 829 R HA -0.185 4.154 4.340 -0.000 0.000 0.238 829 R C 1.470 177.858 176.300 0.147 0.000 1.136 829 R CA 1.806 57.977 56.100 0.119 0.000 0.959 829 R CB -0.427 29.947 30.300 0.124 0.000 0.856 829 R HN 0.508 nan 8.270 nan 0.000 0.437 830 N N 0.329 119.157 118.700 0.213 0.000 2.244 830 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 830 N C 1.205 176.806 175.510 0.153 0.000 1.016 830 N CA 1.779 54.947 53.050 0.198 0.000 0.866 830 N CB -0.475 38.181 38.487 0.281 0.000 0.980 830 N HN 0.471 nan 8.380 nan 0.000 0.430 831 E N 0.205 120.494 120.200 0.149 0.000 2.072 831 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 831 E C 1.303 177.980 176.600 0.128 0.000 0.985 831 E CA 0.920 57.399 56.400 0.132 0.000 0.801 831 E CB -0.132 29.644 29.700 0.126 0.000 0.750 831 E HN 0.418 nan 8.360 nan 0.000 0.452 832 D N 0.818 121.303 120.400 0.141 0.000 2.092 832 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 832 D C 2.017 178.407 176.300 0.151 0.000 0.994 832 D CA 1.181 55.288 54.000 0.178 0.000 0.828 832 D CB 0.062 40.992 40.800 0.217 0.000 0.963 832 D HN 0.146 nan 8.370 nan 0.000 0.450 833 M N -0.086 119.573 119.600 0.099 0.000 2.213 833 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 833 M C 2.276 178.613 176.300 0.060 0.000 1.062 833 M CA 0.646 55.976 55.300 0.050 0.000 1.105 833 M CB -0.061 32.541 32.600 0.002 0.000 1.385 833 M HN 0.072 nan 8.290 nan 0.000 0.417 834 L N 0.538 121.810 121.223 0.081 0.000 2.049 834 L HA -0.040 4.300 4.340 -0.000 0.000 0.203 834 L C 2.000 178.933 176.870 0.106 0.000 1.074 834 L CA 1.795 56.689 54.840 0.090 0.000 0.749 834 L CB -0.252 41.865 42.059 0.097 0.000 0.907 834 L HN 0.170 nan 8.230 nan 0.000 0.439 835 I N -0.901 119.731 120.570 0.104 0.000 2.339 835 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 835 I C 2.154 178.315 176.117 0.074 0.000 1.096 835 I CA 1.342 62.698 61.300 0.093 0.000 1.408 835 I CB -0.695 37.356 38.000 0.085 0.000 1.092 835 I HN 0.389 nan 8.210 nan 0.000 0.423 836 T N -0.793 113.806 114.554 0.076 0.000 3.163 836 T HA 0.266 4.616 4.350 -0.000 0.000 0.260 836 T C 1.032 175.816 174.700 0.141 0.000 1.156 836 T CA 0.379 62.515 62.100 0.060 0.000 1.072 836 T CB -0.752 68.144 68.868 0.048 0.000 0.937 836 T HN 0.600 nan 8.240 nan 0.000 0.528 837 G N -0.802 108.090 108.800 0.152 0.000 2.787 837 G HA2 0.355 4.315 3.960 -0.000 0.000 0.685 837 G HA3 0.355 4.315 3.960 -0.000 0.000 0.685 837 G C -0.076 174.989 174.900 0.276 0.000 1.437 837 G CA -0.593 44.607 45.100 0.167 0.000 0.872 837 G HN 1.225 nan 8.290 nan 0.000 0.566 838 G N -0.768 108.153 108.800 0.201 0.000 2.947 838 G HA2 0.762 4.722 3.960 -0.000 0.000 0.293 838 G HA3 0.762 4.722 3.960 -0.000 0.000 0.293 838 G C -0.008 174.996 174.900 0.174 0.000 1.243 838 G CA 0.056 45.261 45.100 0.176 0.000 0.802 838 G HN 0.875 nan 8.290 nan 0.000 0.560 839 R N -0.342 120.276 120.500 0.196 0.000 2.734 839 R HA 0.203 4.543 4.340 -0.000 0.000 0.266 839 R C -0.633 175.729 176.300 0.103 0.000 1.044 839 R CA -0.197 55.996 56.100 0.155 0.000 1.128 839 R CB 0.013 30.225 30.300 -0.147 0.000 1.010 839 R HN 0.576 nan 8.270 nan 0.000 0.461 840 H N 3.824 122.961 119.070 0.112 0.000 2.742 840 H HA 0.209 4.764 4.556 -0.000 0.000 0.302 840 H C -2.021 173.427 175.328 0.199 0.000 1.069 840 H CA -1.378 54.770 56.048 0.168 0.000 1.446 840 H CB 0.943 30.862 29.762 0.260 0.000 1.462 840 H HN 0.438 nan 8.280 nan 0.000 0.499 841 P HA 0.079 nan 4.420 nan 0.000 0.271 841 P C -0.837 176.596 177.300 0.222 0.000 1.218 841 P CA 0.199 63.351 63.100 0.086 0.000 0.780 841 P CB 0.645 32.399 31.700 0.091 0.000 0.901 842 F N 1.661 121.493 119.950 -0.196 0.000 2.551 842 F HA 0.538 5.065 4.527 -0.000 0.000 0.316 842 F C -0.441 175.367 175.800 0.012 0.000 1.089 842 F CA -0.991 57.006 58.000 -0.005 0.000 0.915 842 F CB 1.713 40.751 39.000 0.062 0.000 1.186 842 F HN 0.072 nan 8.300 nan 0.000 0.456 843 L N 3.558 124.988 121.223 0.344 0.000 2.385 843 L HA 0.899 5.239 4.340 -0.000 0.000 0.273 843 L C -1.273 175.851 176.870 0.423 0.000 0.990 843 L CA -0.357 54.736 54.840 0.422 0.000 0.821 843 L CB 1.543 43.836 42.059 0.390 0.000 1.279 843 L HN 0.604 nan 8.230 nan 0.000 0.412 844 A N 4.899 127.951 122.820 0.387 0.000 2.414 844 A HA 0.889 5.209 4.320 -0.000 0.000 0.306 844 A C -0.890 176.894 177.584 0.334 0.000 1.054 844 A CA -0.718 51.510 52.037 0.317 0.000 0.724 844 A CB 1.268 20.403 19.000 0.225 0.000 1.267 844 A HN 0.713 nan 8.150 nan 0.000 0.418 845 R N 1.068 121.736 120.500 0.279 0.000 2.393 845 R HA 0.573 4.913 4.340 -0.000 0.000 0.315 845 R C -1.326 175.100 176.300 0.210 0.000 0.952 845 R CA -0.320 55.907 56.100 0.213 0.000 0.842 845 R CB 1.387 31.789 30.300 0.170 0.000 1.163 845 R HN 0.807 nan 8.270 nan 0.000 0.450 846 Y N -0.573 119.769 120.300 0.069 0.000 2.633 846 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 846 Y C -0.923 174.996 175.900 0.032 0.000 1.045 846 Y CA -1.356 56.771 58.100 0.045 0.000 1.098 846 Y CB 1.885 40.401 38.460 0.094 0.000 1.296 846 Y HN 0.278 nan 8.280 nan 0.000 0.494 847 K N 2.144 122.627 120.400 0.138 0.000 2.616 847 K HA 0.568 4.888 4.320 -0.000 0.000 0.255 847 K C -2.651 174.052 176.600 0.171 0.000 0.995 847 K CA -0.662 55.679 56.287 0.090 0.000 0.860 847 K CB 2.446 34.956 32.500 0.017 0.000 1.264 847 K HN 0.817 nan 8.250 nan 0.000 0.451 848 V N 3.076 123.082 119.914 0.153 0.000 2.540 848 V HA 0.820 4.940 4.120 -0.000 0.000 0.302 848 V C -0.472 175.779 176.094 0.262 0.000 1.035 848 V CA -0.194 62.110 62.300 0.007 0.000 0.873 848 V CB 1.661 33.261 31.823 -0.370 0.000 0.992 848 V HN 0.834 nan 8.190 nan 0.000 0.428 849 G N 5.880 114.751 108.800 0.119 0.000 2.379 849 G HA2 0.765 4.725 3.960 -0.000 0.000 0.327 849 G HA3 0.765 4.725 3.960 -0.000 0.000 0.327 849 G C -1.175 173.830 174.900 0.175 0.000 1.145 849 G CA -0.532 44.643 45.100 0.125 0.000 0.905 849 G HN 1.099 nan 8.290 nan 0.000 0.466 850 F N 0.301 120.208 119.950 -0.072 0.000 2.686 850 F HA 0.724 5.251 4.527 -0.000 0.000 0.311 850 F C -0.537 175.237 175.800 -0.043 0.000 1.128 850 F CA -1.851 56.103 58.000 -0.076 0.000 0.946 850 F CB 1.342 40.304 39.000 -0.063 0.000 1.336 850 F HN 0.234 nan 8.300 nan 0.000 0.457 851 M N 1.914 121.564 119.600 0.083 0.000 2.267 851 M HA 0.290 4.770 4.480 -0.000 0.000 0.303 851 M C 1.077 177.420 176.300 0.072 0.000 1.164 851 M CA -0.674 54.625 55.300 -0.001 0.000 1.060 851 M CB 1.278 33.885 32.600 0.012 0.000 1.455 851 M HN 0.888 nan 8.290 nan 0.000 0.483 852 K N -0.750 119.663 120.400 0.022 0.000 2.515 852 K HA -0.056 4.264 4.320 -0.000 0.000 0.196 852 K C 1.130 177.790 176.600 0.100 0.000 1.038 852 K CA 1.482 57.809 56.287 0.066 0.000 0.967 852 K CB -0.729 31.785 32.500 0.023 0.000 0.780 852 K HN 0.804 nan 8.250 nan 0.000 0.483 853 T N -3.267 111.339 114.554 0.086 0.000 3.067 853 T HA 0.211 4.561 4.350 -0.000 0.000 0.261 853 T C 1.585 176.339 174.700 0.090 0.000 1.110 853 T CA 0.531 62.675 62.100 0.074 0.000 1.113 853 T CB 0.183 69.079 68.868 0.046 0.000 0.917 853 T HN 0.460 nan 8.240 nan 0.000 0.499 854 G N 0.615 109.498 108.800 0.138 0.000 2.218 854 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 854 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 854 G C 0.222 175.154 174.900 0.054 0.000 0.994 854 G CA -0.105 45.058 45.100 0.105 0.000 0.637 854 G HN 0.661 nan 8.290 nan 0.000 0.505 855 T N 3.530 118.116 114.554 0.054 0.000 2.817 855 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 855 T C 0.940 175.655 174.700 0.025 0.000 0.958 855 T CA 0.115 62.216 62.100 0.002 0.000 1.157 855 T CB 0.810 69.669 68.868 -0.016 0.000 0.898 855 T HN 0.245 nan 8.240 nan 0.000 0.536 856 I N 4.796 125.343 120.570 -0.038 0.000 2.529 856 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 856 I C 1.459 177.515 176.117 -0.102 0.000 1.082 856 I CA 0.003 61.263 61.300 -0.067 0.000 1.406 856 I CB 0.830 38.741 38.000 -0.149 0.000 1.405 856 I HN 0.547 nan 8.210 nan 0.000 0.548 857 V N 2.339 122.178 119.914 -0.125 0.000 3.539 857 V HA 0.654 4.773 4.120 -0.000 0.000 0.262 857 V C 0.462 176.382 176.094 -0.290 0.000 1.381 857 V CA 0.235 62.432 62.300 -0.172 0.000 1.060 857 V CB 0.518 32.259 31.823 -0.138 0.000 0.842 857 V HN 0.749 nan 8.190 nan 0.000 0.445 858 A N 0.768 123.349 122.820 -0.399 0.000 2.520 858 A HA 0.885 5.205 4.320 -0.000 0.000 0.298 858 A C -1.778 175.473 177.584 -0.555 0.000 1.051 858 A CA -0.474 51.164 52.037 -0.665 0.000 0.690 858 A CB 2.393 20.526 19.000 -1.445 0.000 1.281 858 A HN 0.832 nan 8.150 nan 0.000 0.402 859 L N 0.607 121.575 121.223 -0.425 0.000 2.482 859 L HA 0.773 5.113 4.340 -0.000 0.000 0.263 859 L C -0.976 175.848 176.870 -0.076 0.000 0.957 859 L CA 0.082 54.741 54.840 -0.300 0.000 0.836 859 L CB 2.100 43.901 42.059 -0.430 0.000 1.324 859 L HN 0.791 nan 8.230 nan 0.000 0.406 860 E N 3.233 123.458 120.200 0.043 0.000 2.260 860 E HA 0.737 5.087 4.350 -0.000 0.000 0.266 860 E C -1.795 174.861 176.600 0.094 0.000 0.887 860 E CA -0.568 55.901 56.400 0.115 0.000 0.777 860 E CB 2.357 32.184 29.700 0.211 0.000 1.205 860 E HN 0.454 nan 8.360 nan 0.000 0.414 861 V N 3.474 123.437 119.914 0.081 0.000 2.623 861 V HA 0.328 4.448 4.120 -0.000 0.000 0.304 861 V C -1.095 174.976 176.094 -0.038 0.000 1.054 861 V CA -0.995 61.327 62.300 0.036 0.000 0.882 861 V CB 2.094 33.925 31.823 0.013 0.000 1.002 861 V HN 0.639 nan 8.190 nan 0.000 0.424 862 D N 2.662 123.026 120.400 -0.061 0.000 2.381 862 D HA 0.453 5.093 4.640 -0.000 0.000 0.235 862 D C -0.616 175.569 176.300 -0.192 0.000 1.068 862 D CA -0.311 53.634 54.000 -0.092 0.000 0.832 862 D CB 1.430 42.248 40.800 0.029 0.000 1.101 862 D HN 0.604 nan 8.370 nan 0.000 0.515 863 H N 1.124 120.100 119.070 -0.157 0.000 2.467 863 H HA 0.417 4.972 4.556 -0.000 0.000 0.331 863 H C -0.741 174.291 175.328 -0.493 0.000 1.120 863 H CA -0.222 55.768 56.048 -0.096 0.000 1.270 863 H CB 0.875 30.696 29.762 0.098 0.000 1.466 863 H HN 0.302 nan 8.280 nan 0.000 0.504 864 Y N 0.369 120.655 120.300 -0.022 0.000 2.386 864 Y HA 0.366 4.916 4.550 -0.000 0.000 0.334 864 Y C -0.373 175.298 175.900 -0.382 0.000 1.002 864 Y CA -0.923 57.117 58.100 -0.100 0.000 1.068 864 Y CB 1.944 40.435 38.460 0.052 0.000 1.203 864 Y HN 0.676 nan 8.280 nan 0.000 0.443 865 S N 1.765 117.278 115.700 -0.313 0.000 2.532 865 S HA 0.443 4.913 4.470 -0.000 0.000 0.301 865 S C -0.896 173.703 174.600 -0.001 0.000 1.083 865 S CA -0.974 56.978 58.200 -0.413 0.000 1.025 865 S CB 1.739 64.580 63.200 -0.599 0.000 1.056 865 S HN 0.625 nan 8.310 nan 0.000 0.494 866 N N 1.377 120.124 118.700 0.078 0.000 2.437 866 N HA 0.368 5.108 4.740 -0.000 0.000 0.243 866 N C 0.730 176.321 175.510 0.135 0.000 1.041 866 N CA -0.208 52.890 53.050 0.080 0.000 0.940 866 N CB 1.279 39.788 38.487 0.037 0.000 1.133 866 N HN 0.794 nan 8.380 nan 0.000 0.506 867 A N 2.684 125.622 122.820 0.197 0.000 2.072 867 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 867 A C 1.138 178.807 177.584 0.143 0.000 1.156 867 A CA 0.999 53.200 52.037 0.274 0.000 0.701 867 A CB -0.671 18.602 19.000 0.455 0.000 0.816 867 A HN 0.932 nan 8.150 nan 0.000 0.458 868 G N 0.287 109.147 108.800 0.100 0.000 2.660 868 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 868 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 868 G C 0.067 175.046 174.900 0.132 0.000 1.345 868 G CA 0.137 45.267 45.100 0.050 0.000 0.877 868 G HN 1.038 nan 8.290 nan 0.000 0.549 869 N N 0.112 118.845 118.700 0.055 0.000 2.421 869 N HA 0.297 5.037 4.740 -0.000 0.000 0.201 869 N C 0.533 176.101 175.510 0.097 0.000 1.198 869 N CA 1.188 54.273 53.050 0.058 0.000 0.838 869 N CB -0.180 38.255 38.487 -0.088 0.000 1.011 869 N HN 1.812 nan 8.380 nan 0.000 0.463 870 S N -1.761 113.987 115.700 0.080 0.000 2.588 870 S HA 0.468 4.938 4.470 -0.000 0.000 0.269 870 S C 0.392 174.770 174.600 -0.370 0.000 1.157 870 S CA -0.980 57.168 58.200 -0.086 0.000 0.824 870 S CB 1.766 64.951 63.200 -0.025 0.000 1.126 870 S HN 0.015 nan 8.310 nan 0.000 0.464 871 R N 0.659 120.846 120.500 -0.522 0.000 2.062 871 R HA 0.089 4.428 4.340 -0.000 0.000 0.229 871 R C 0.876 177.128 176.300 -0.079 0.000 1.128 871 R CA 1.400 57.164 56.100 -0.560 0.000 0.960 871 R CB -0.785 29.152 30.300 -0.605 0.000 0.855 871 R HN 0.897 nan 8.270 nan 0.000 0.432 872 D N -0.680 119.814 120.400 0.157 0.000 3.424 872 D HA -0.293 4.347 4.640 -0.000 0.000 0.162 872 D C 0.159 176.690 176.300 0.386 0.000 1.055 872 D CA 2.077 56.250 54.000 0.290 0.000 1.016 872 D CB -0.673 40.253 40.800 0.209 0.000 0.500 872 D HN 0.095 nan 8.370 nan 0.000 0.501 873 L N 0.342 121.767 121.223 0.336 0.000 2.653 873 L HA 0.218 4.558 4.340 -0.000 0.000 0.232 873 L C 1.998 178.959 176.870 0.153 0.000 1.169 873 L CA 0.122 55.173 54.840 0.352 0.000 0.951 873 L CB -0.067 42.260 42.059 0.448 0.000 1.181 873 L HN 0.174 nan 8.230 nan 0.000 0.460 874 S N -0.544 115.220 115.700 0.106 0.000 2.359 874 S HA -0.277 4.192 4.470 -0.000 0.000 0.224 874 S C 1.877 176.414 174.600 -0.105 0.000 1.035 874 S CA 1.678 59.835 58.200 -0.073 0.000 1.018 874 S CB -0.278 62.978 63.200 0.094 0.000 0.876 874 S HN 0.582 nan 8.310 nan 0.000 0.448 875 H N 1.322 120.331 119.070 -0.102 0.000 2.290 875 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 875 H C 2.272 177.583 175.328 -0.029 0.000 1.087 875 H CA 1.958 57.946 56.048 -0.100 0.000 1.291 875 H CB -0.357 29.316 29.762 -0.148 0.000 1.369 875 H HN 0.240 nan 8.280 nan 0.000 0.492 876 S N -0.422 115.391 115.700 0.189 0.000 2.399 876 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 876 S C 2.240 176.948 174.600 0.181 0.000 1.022 876 S CA 1.176 59.549 58.200 0.289 0.000 0.983 876 S CB -0.190 63.342 63.200 0.553 0.000 0.803 876 S HN 0.368 nan 8.310 nan 0.000 0.480 877 I N 0.700 121.145 120.570 -0.210 0.000 2.315 877 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 877 I C 2.398 178.395 176.117 -0.201 0.000 1.117 877 I CA 1.061 62.030 61.300 -0.552 0.000 1.404 877 I CB -0.178 37.344 38.000 -0.797 0.000 1.071 877 I HN 0.315 nan 8.210 nan 0.000 0.419 878 M N 0.736 120.225 119.600 -0.184 0.000 2.200 878 M HA -0.158 4.322 4.480 -0.000 0.000 0.265 878 M C 1.973 178.173 176.300 -0.167 0.000 1.066 878 M CA 1.779 57.001 55.300 -0.131 0.000 1.127 878 M CB -0.450 32.010 32.600 -0.234 0.000 1.379 878 M HN 0.079 nan 8.290 nan 0.000 0.420 879 E N -0.568 119.517 120.200 -0.193 0.000 2.051 879 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 879 E C 2.188 178.745 176.600 -0.072 0.000 0.991 879 E CA 1.364 57.659 56.400 -0.175 0.000 0.799 879 E CB -0.235 29.455 29.700 -0.016 0.000 0.748 879 E HN 0.511 nan 8.360 nan 0.000 0.449 880 R N 0.495 121.118 120.500 0.206 0.000 2.115 880 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 880 R C 2.151 178.622 176.300 0.283 0.000 1.111 880 R CA 1.158 57.506 56.100 0.412 0.000 0.976 880 R CB -0.125 30.420 30.300 0.408 0.000 0.870 880 R HN 0.124 nan 8.270 nan 0.000 0.445 881 A N 1.216 124.066 122.820 0.049 0.000 1.858 881 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 881 A C 2.169 179.725 177.584 -0.047 0.000 1.190 881 A CA 1.314 53.312 52.037 -0.065 0.000 0.617 881 A CB -0.640 18.263 19.000 -0.161 0.000 0.827 881 A HN 0.348 nan 8.150 nan 0.000 0.443 882 L N -1.811 119.336 121.223 -0.127 0.000 2.042 882 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 882 L C 2.465 179.404 176.870 0.115 0.000 1.076 882 L CA 1.404 56.201 54.840 -0.073 0.000 0.749 882 L CB -0.635 41.341 42.059 -0.139 0.000 0.893 882 L HN 0.440 nan 8.230 nan 0.000 0.432 883 F N -0.915 119.066 119.950 0.052 0.000 2.408 883 F HA -0.189 4.337 4.527 -0.000 0.000 0.300 883 F C 1.697 177.456 175.800 -0.067 0.000 1.090 883 F CA 0.666 58.541 58.000 -0.207 0.000 1.427 883 F CB -0.123 38.649 39.000 -0.381 0.000 1.070 883 F HN 0.235 nan 8.300 nan 0.000 0.549 884 H N -1.209 118.033 119.070 0.287 0.000 2.674 884 H HA 0.135 4.691 4.556 -0.000 0.000 0.274 884 H C 1.732 177.130 175.328 0.116 0.000 1.121 884 H CA -0.022 56.144 56.048 0.197 0.000 1.132 884 H CB -0.171 29.607 29.762 0.026 0.000 1.606 884 H HN 0.242 nan 8.280 nan 0.000 0.558 885 M N -0.062 119.655 119.600 0.195 0.000 2.549 885 M HA -0.051 4.429 4.480 -0.000 0.000 0.260 885 M C 0.734 177.097 176.300 0.104 0.000 1.076 885 M CA 1.464 56.851 55.300 0.145 0.000 1.090 885 M CB 0.123 32.842 32.600 0.198 0.000 1.418 885 M HN 0.089 nan 8.290 nan 0.000 0.486 886 D N -0.676 119.745 120.400 0.035 0.000 2.327 886 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 886 D C 0.841 177.224 176.300 0.139 0.000 0.989 886 D CA 0.445 54.496 54.000 0.085 0.000 0.873 886 D CB -0.426 40.429 40.800 0.092 0.000 0.955 886 D HN 0.507 nan 8.370 nan 0.000 0.515 887 N N -0.035 118.731 118.700 0.111 0.000 1.241 887 N HA -0.293 4.447 4.740 -0.000 0.000 0.135 887 N C -0.241 175.251 175.510 -0.030 0.000 0.723 887 N CA 2.586 55.642 53.050 0.009 0.000 0.950 887 N CB -1.302 37.124 38.487 -0.102 0.000 1.215 887 N HN 0.335 nan 8.380 nan 0.000 0.520 888 C N 0.022 119.036 119.300 -0.476 0.000 2.563 888 C HA 0.435 4.895 4.460 -0.000 0.000 0.307 888 C C -0.697 173.871 174.990 -0.703 0.000 1.371 888 C CA -0.467 58.351 59.018 -0.334 0.000 1.772 888 C CB -2.220 25.335 27.740 -0.308 0.000 2.283 888 C HN 0.332 nan 8.230 nan 0.000 0.570 889 Y N 0.104 120.204 120.300 -0.333 0.000 2.393 889 Y HA 0.395 4.945 4.550 -0.000 0.000 0.341 889 Y C 0.263 175.511 175.900 -1.087 0.000 0.988 889 Y CA -0.943 56.789 58.100 -0.614 0.000 1.078 889 Y CB 0.925 39.235 38.460 -0.250 0.000 1.203 889 Y HN -0.072 nan 8.280 nan 0.000 0.453 890 K N 3.813 123.693 120.400 -0.866 0.000 2.312 890 K HA 0.492 4.812 4.320 -0.000 0.000 0.287 890 K C -1.313 175.123 176.600 -0.273 0.000 1.062 890 K CA -0.075 55.815 56.287 -0.660 0.000 0.934 890 K CB 0.217 32.475 32.500 -0.403 0.000 1.027 890 K HN 0.692 nan 8.250 nan 0.000 0.478 891 I N 7.905 128.372 120.570 -0.172 0.000 2.466 891 I HA 0.193 4.363 4.170 -0.000 0.000 0.279 891 I C -1.786 174.279 176.117 -0.087 0.000 1.033 891 I CA -2.294 58.932 61.300 -0.123 0.000 1.123 891 I CB 1.738 39.671 38.000 -0.112 0.000 1.237 891 I HN 0.545 nan 8.210 nan 0.000 0.460 892 P HA -0.152 nan 4.420 nan 0.000 0.217 892 P C -0.278 176.979 177.300 -0.070 0.000 1.158 892 P CA 1.529 64.583 63.100 -0.076 0.000 0.887 892 P CB 0.131 31.776 31.700 -0.090 0.000 0.792 893 N N -0.171 118.459 118.700 -0.116 0.000 2.442 893 N HA 0.429 5.169 4.740 -0.000 0.000 0.274 893 N C -0.743 174.685 175.510 -0.135 0.000 1.002 893 N CA -0.321 52.657 53.050 -0.120 0.000 0.910 893 N CB 2.098 40.478 38.487 -0.179 0.000 1.244 893 N HN 0.056 nan 8.380 nan 0.000 0.492 894 I N 0.684 121.223 120.570 -0.051 0.000 2.827 894 I HA 0.446 4.616 4.170 -0.000 0.000 0.298 894 I C -1.450 174.695 176.117 0.046 0.000 1.235 894 I CA -0.778 60.505 61.300 -0.028 0.000 1.021 894 I CB 2.619 40.613 38.000 -0.010 0.000 1.259 894 I HN 0.350 nan 8.210 nan 0.000 0.427 895 R N 4.912 125.447 120.500 0.060 0.000 2.510 895 R HA 0.609 4.948 4.340 -0.000 0.000 0.294 895 R C -1.420 174.950 176.300 0.115 0.000 1.056 895 R CA -0.549 55.610 56.100 0.099 0.000 0.918 895 R CB 1.850 32.208 30.300 0.096 0.000 1.187 895 R HN 0.830 nan 8.270 nan 0.000 0.437 896 G N 1.984 110.875 108.800 0.152 0.000 2.530 896 G HA2 0.486 4.446 3.960 -0.000 0.000 0.316 896 G HA3 0.486 4.446 3.960 -0.000 0.000 0.316 896 G C -0.562 174.438 174.900 0.166 0.000 1.298 896 G CA -0.399 44.816 45.100 0.192 0.000 0.948 896 G HN 0.547 nan 8.290 nan 0.000 0.486 897 T N -0.956 113.688 114.554 0.151 0.000 2.930 897 T HA 0.874 5.224 4.350 -0.000 0.000 0.290 897 T C 0.001 174.728 174.700 0.046 0.000 1.052 897 T CA -0.623 61.508 62.100 0.052 0.000 1.017 897 T CB 2.393 71.242 68.868 -0.032 0.000 1.137 897 T HN 1.287 nan 8.240 nan 0.000 0.511 898 G N 0.238 108.977 108.800 -0.102 0.000 2.746 898 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 898 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 898 G C -1.743 173.002 174.900 -0.258 0.000 1.426 898 G CA -0.921 44.077 45.100 -0.171 0.000 0.989 898 G HN 0.693 nan 8.290 nan 0.000 0.520 899 R N 0.646 120.964 120.500 -0.304 0.000 2.628 899 R HA 0.604 4.944 4.340 -0.000 0.000 0.288 899 R C -0.826 175.495 176.300 0.036 0.000 0.980 899 R CA -0.924 55.072 56.100 -0.172 0.000 0.891 899 R CB 1.543 31.691 30.300 -0.253 0.000 1.188 899 R HN 0.430 nan 8.270 nan 0.000 0.450 900 L N 3.566 124.881 121.223 0.154 0.000 2.257 900 L HA 0.460 4.800 4.340 -0.000 0.000 0.290 900 L C -0.403 176.654 176.870 0.312 0.000 1.044 900 L CA -0.902 54.068 54.840 0.217 0.000 0.810 900 L CB 1.413 43.626 42.059 0.257 0.000 1.193 900 L HN 0.526 nan 8.230 nan 0.000 0.425 901 C N 3.370 122.791 119.300 0.202 0.000 2.464 901 C HA 0.140 4.600 4.460 -0.000 0.000 0.370 901 C C 0.861 175.776 174.990 -0.125 0.000 1.267 901 C CA -0.775 58.236 59.018 -0.011 0.000 1.781 901 C CB -0.164 27.560 27.740 -0.027 0.000 2.431 901 C HN 0.670 nan 8.230 nan 0.000 0.556 902 K N 3.681 123.811 120.400 -0.449 0.000 2.310 902 K HA 0.373 4.693 4.320 -0.000 0.000 0.290 902 K C 0.329 176.730 176.600 -0.333 0.000 1.077 902 K CA 0.263 56.144 56.287 -0.676 0.000 0.922 902 K CB 0.386 32.184 32.500 -1.169 0.000 1.057 902 K HN 0.896 nan 8.250 nan 0.000 0.479 903 T N 0.474 114.930 114.554 -0.164 0.000 2.887 903 T HA 0.285 4.635 4.350 -0.000 0.000 0.292 903 T C -0.139 174.490 174.700 -0.118 0.000 1.087 903 T CA -1.083 60.930 62.100 -0.144 0.000 1.009 903 T CB 1.012 69.808 68.868 -0.119 0.000 1.203 903 T HN 0.528 nan 8.240 nan 0.000 0.518 904 N N 0.589 119.211 118.700 -0.129 0.000 3.259 904 N HA 0.455 5.195 4.740 -0.000 0.000 0.308 904 N C -0.824 174.642 175.510 -0.073 0.000 1.334 904 N CA -0.170 52.809 53.050 -0.118 0.000 1.202 904 N CB -0.336 38.080 38.487 -0.118 0.000 1.485 904 N HN 0.380 nan 8.380 nan 0.000 0.549 905 L N -0.626 120.554 121.223 -0.071 0.000 2.309 905 L HA 0.469 4.809 4.340 -0.000 0.000 0.261 905 L C 0.169 177.022 176.870 -0.027 0.000 1.021 905 L CA -1.127 53.679 54.840 -0.057 0.000 0.823 905 L CB 1.762 43.745 42.059 -0.126 0.000 1.366 905 L HN 0.060 nan 8.230 nan 0.000 0.423 906 S N 0.605 116.313 115.700 0.014 0.000 2.558 906 S HA -0.028 4.442 4.470 -0.000 0.000 0.291 906 S C 0.209 174.813 174.600 0.007 0.000 1.306 906 S CA -0.078 58.136 58.200 0.022 0.000 1.056 906 S CB 0.737 63.979 63.200 0.070 0.000 0.836 906 S HN 0.562 nan 8.310 nan 0.000 0.504 907 S N 3.083 118.787 115.700 0.007 0.000 2.525 907 S HA 0.063 4.532 4.470 -0.000 0.000 0.285 907 S C 0.213 174.816 174.600 0.004 0.000 1.283 907 S CA -0.572 57.637 58.200 0.015 0.000 1.072 907 S CB -0.212 63.007 63.200 0.031 0.000 0.867 907 S HN 0.610 nan 8.310 nan 0.000 0.492 908 N N 2.688 121.328 118.700 -0.101 0.000 2.493 908 N HA 0.410 5.150 4.740 -0.000 0.000 0.275 908 N C 0.250 175.736 175.510 -0.039 0.000 1.186 908 N CA -0.142 52.761 53.050 -0.246 0.000 0.978 908 N CB 1.652 39.654 38.487 -0.808 0.000 1.184 908 N HN 0.701 nan 8.380 nan 0.000 0.487 909 T N -1.235 113.414 114.554 0.159 0.000 2.572 909 T HA 0.656 5.005 4.350 -0.000 0.000 0.274 909 T C -1.179 173.790 174.700 0.448 0.000 0.949 909 T CA -0.471 61.843 62.100 0.357 0.000 1.126 909 T CB 0.313 69.362 68.868 0.302 0.000 1.478 909 T HN 0.448 nan 8.240 nan 0.000 0.492 910 A N 1.020 124.122 122.820 0.470 0.000 2.425 910 A HA 0.643 4.963 4.320 -0.000 0.000 0.249 910 A C -0.819 177.163 177.584 0.664 0.000 1.084 910 A CA -0.196 52.191 52.037 0.583 0.000 0.781 910 A CB -0.606 18.820 19.000 0.709 0.000 1.019 910 A HN 0.720 nan 8.150 nan 0.000 0.490 911 F N 1.994 122.209 119.950 0.442 0.000 2.605 911 F HA 0.396 4.923 4.527 -0.000 0.000 0.320 911 F C 0.423 176.390 175.800 0.279 0.000 1.159 911 F CA -1.084 57.132 58.000 0.359 0.000 0.999 911 F CB 1.141 40.197 39.000 0.094 0.000 1.258 911 F HN 0.782 nan 8.300 nan 0.000 0.464 912 R N 4.015 125.008 120.500 0.820 0.000 3.958 912 R HA -0.004 4.336 4.340 -0.000 0.000 0.186 912 R C 0.857 177.329 176.300 0.286 0.000 0.520 912 R CA 2.063 58.456 56.100 0.488 0.000 0.917 912 R CB -0.628 29.969 30.300 0.494 0.000 1.014 912 R HN 1.135 nan 8.270 nan 0.000 0.296 913 G N 3.567 112.518 108.800 0.252 0.000 2.699 913 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.198 913 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.198 913 G C 0.197 175.349 174.900 0.419 0.000 1.033 913 G CA -0.145 45.089 45.100 0.222 0.000 0.728 913 G HN 0.714 nan 8.290 nan 0.000 0.484 914 F N 1.072 121.139 119.950 0.195 0.000 2.943 914 F HA 0.042 4.569 4.527 -0.000 0.000 0.258 914 F C 1.829 177.676 175.800 0.078 0.000 0.995 914 F CA 2.666 60.772 58.000 0.175 0.000 0.896 914 F CB -0.965 38.154 39.000 0.199 0.000 0.821 914 F HN 1.996 nan 8.300 nan 0.000 0.828 915 G N -0.610 108.154 108.800 -0.061 0.000 2.299 915 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.237 915 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.237 915 G C 1.487 176.263 174.900 -0.206 0.000 1.027 915 G CA 0.662 45.643 45.100 -0.199 0.000 0.619 915 G HN 1.493 nan 8.290 nan 0.000 0.513 916 G N 1.703 110.446 108.800 -0.095 0.000 2.421 916 G HA2 0.075 4.035 3.960 -0.000 0.000 0.216 916 G HA3 0.075 4.035 3.960 -0.000 0.000 0.216 916 G C 0.111 174.928 174.900 -0.138 0.000 1.171 916 G CA 1.994 46.980 45.100 -0.189 0.000 0.775 916 G HN 0.550 nan 8.290 nan 0.000 0.543 917 P HA -0.100 nan 4.420 nan 0.000 0.215 917 P C 1.791 179.115 177.300 0.040 0.000 1.153 917 P CA 1.378 64.532 63.100 0.089 0.000 0.853 917 P CB -0.006 31.744 31.700 0.082 0.000 0.788 918 Q N -0.458 119.224 119.800 -0.196 0.000 2.050 918 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 918 Q C 2.307 178.216 176.000 -0.152 0.000 0.980 918 Q CA 2.129 57.755 55.803 -0.295 0.000 0.840 918 Q CB -1.383 26.728 28.738 -1.045 0.000 0.898 918 Q HN 0.169 nan 8.270 nan 0.000 0.424 919 A N 0.223 122.901 122.820 -0.237 0.000 1.930 919 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 919 A C 2.077 179.611 177.584 -0.083 0.000 1.175 919 A CA 1.064 53.069 52.037 -0.054 0.000 0.627 919 A CB -0.678 18.277 19.000 -0.074 0.000 0.815 919 A HN 0.326 nan 8.150 nan 0.000 0.443 920 L N -1.939 119.121 121.223 -0.272 0.000 2.046 920 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 920 L C 2.475 179.036 176.870 -0.516 0.000 1.077 920 L CA 1.582 56.033 54.840 -0.649 0.000 0.747 920 L CB -0.507 40.664 42.059 -1.479 0.000 0.896 920 L HN 0.534 nan 8.230 nan 0.000 0.432 921 F N 0.882 120.690 119.950 -0.236 0.000 2.102 921 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 921 F C 2.255 178.049 175.800 -0.010 0.000 1.105 921 F CA 1.411 59.502 58.000 0.151 0.000 1.239 921 F CB -0.272 38.847 39.000 0.197 0.000 0.991 921 F HN -0.112 nan 8.300 nan 0.000 0.474 922 I N 0.475 120.902 120.570 -0.239 0.000 2.208 922 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 922 I C 2.711 178.501 176.117 -0.544 0.000 1.097 922 I CA 1.310 62.403 61.300 -0.346 0.000 1.363 922 I CB -1.008 36.994 38.000 0.002 0.000 1.051 922 I HN 0.281 nan 8.210 nan 0.000 0.413 923 A N 0.297 122.823 122.820 -0.491 0.000 1.877 923 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 923 A C 2.208 178.971 177.584 -1.370 0.000 1.186 923 A CA 1.512 52.974 52.037 -0.958 0.000 0.620 923 A CB -0.436 18.312 19.000 -0.419 0.000 0.822 923 A HN 0.323 nan 8.150 nan 0.000 0.443 924 E N -0.136 119.615 120.200 -0.749 0.000 2.268 924 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 924 E C 1.709 177.787 176.600 -0.870 0.000 0.995 924 E CA 1.125 57.063 56.400 -0.770 0.000 0.836 924 E CB -0.434 28.932 29.700 -0.556 0.000 0.763 924 E HN 0.732 nan 8.360 nan 0.000 0.491 925 N N 1.057 119.364 118.700 -0.656 0.000 2.092 925 N HA -0.143 4.597 4.740 -0.000 0.000 0.189 925 N C 1.915 177.200 175.510 -0.375 0.000 1.040 925 N CA 1.837 54.664 53.050 -0.371 0.000 0.845 925 N CB -0.381 37.812 38.487 -0.490 0.000 1.017 925 N HN 0.358 nan 8.380 nan 0.000 0.426 926 W N -0.509 120.517 121.300 -0.456 0.000 2.392 926 W HA -0.072 4.588 4.660 -0.000 0.000 0.279 926 W C 1.640 177.970 176.519 -0.316 0.000 1.225 926 W CA 0.233 57.359 57.345 -0.365 0.000 1.233 926 W CB -0.777 28.453 29.460 -0.382 0.000 1.122 926 W HN 0.162 nan 8.180 nan 0.000 0.561 927 M N 3.388 122.695 119.600 -0.488 0.000 2.132 927 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 927 M C 2.610 178.721 176.300 -0.316 0.000 1.065 927 M CA 2.837 57.879 55.300 -0.430 0.000 1.122 927 M CB -0.908 31.161 32.600 -0.886 0.000 1.365 927 M HN 0.067 nan 8.290 nan 0.000 0.411 928 S N -0.599 114.890 115.700 -0.351 0.000 2.382 928 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 928 S C 1.768 176.306 174.600 -0.103 0.000 1.027 928 S CA 1.600 59.673 58.200 -0.212 0.000 0.991 928 S CB -0.863 62.250 63.200 -0.145 0.000 0.823 928 S HN 0.710 nan 8.310 nan 0.000 0.469 929 E N 0.737 120.893 120.200 -0.073 0.000 2.107 929 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 929 E C 2.182 178.726 176.600 -0.092 0.000 0.982 929 E CA 1.028 57.417 56.400 -0.019 0.000 0.809 929 E CB -0.348 29.399 29.700 0.079 0.000 0.756 929 E HN 0.385 nan 8.360 nan 0.000 0.459 930 V N 1.722 121.487 119.914 -0.248 0.000 2.287 930 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 930 V C 2.375 178.304 176.094 -0.275 0.000 1.053 930 V CA 2.037 63.966 62.300 -0.619 0.000 1.027 930 V CB -0.787 30.598 31.823 -0.731 0.000 0.646 930 V HN 0.336 nan 8.190 nan 0.000 0.447 931 A N -0.286 122.439 122.820 -0.158 0.000 1.865 931 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 931 A C 2.401 179.993 177.584 0.013 0.000 1.191 931 A CA 2.364 54.371 52.037 -0.050 0.000 0.623 931 A CB -0.898 18.080 19.000 -0.036 0.000 0.826 931 A HN 0.324 nan 8.150 nan 0.000 0.444 932 V N -0.084 119.840 119.914 0.017 0.000 2.252 932 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 932 V C 2.758 178.905 176.094 0.088 0.000 1.056 932 V CA 2.633 64.967 62.300 0.057 0.000 1.022 932 V CB -1.459 30.398 31.823 0.057 0.000 0.641 932 V HN 0.643 nan 8.190 nan 0.000 0.445 933 T N -1.301 113.319 114.554 0.110 0.000 2.759 933 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 933 T C 1.769 176.593 174.700 0.206 0.000 1.042 933 T CA 1.952 64.168 62.100 0.193 0.000 1.140 933 T CB -0.492 68.588 68.868 0.353 0.000 0.864 933 T HN 0.567 nan 8.240 nan 0.000 0.455 934 C N 0.534 119.954 119.300 0.200 0.000 2.514 934 C HA 0.451 4.911 4.460 -0.000 0.000 0.271 934 C C 2.067 177.126 174.990 0.115 0.000 1.399 934 C CA -0.259 58.867 59.018 0.179 0.000 1.765 934 C CB -1.223 26.629 27.740 0.187 0.000 1.893 934 C HN 0.810 nan 8.230 nan 0.000 0.531 935 G N 0.985 109.844 108.800 0.098 0.000 2.225 935 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 935 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 935 G C -0.338 174.610 174.900 0.081 0.000 1.060 935 G CA 0.072 45.222 45.100 0.082 0.000 0.833 935 G HN 0.521 nan 8.290 nan 0.000 0.498 936 L N -1.059 120.214 121.223 0.083 0.000 2.323 936 L HA 0.580 4.920 4.340 -0.000 0.000 0.265 936 L C -2.159 174.771 176.870 0.099 0.000 1.012 936 L CA -2.703 52.191 54.840 0.090 0.000 0.820 936 L CB 1.981 44.094 42.059 0.090 0.000 1.334 936 L HN -0.163 nan 8.230 nan 0.000 0.427 937 P HA 0.043 nan 4.420 nan 0.000 0.267 937 P C 0.198 177.591 177.300 0.154 0.000 1.209 937 P CA 0.064 63.258 63.100 0.156 0.000 0.763 937 P CB 1.097 32.920 31.700 0.206 0.000 0.816 938 A N 5.071 127.973 122.820 0.137 0.000 1.948 938 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 938 A C 1.942 179.622 177.584 0.159 0.000 1.177 938 A CA 1.821 53.921 52.037 0.104 0.000 0.636 938 A CB -0.817 18.232 19.000 0.081 0.000 0.815 938 A HN 0.656 nan 8.150 nan 0.000 0.449 939 E N 0.364 120.699 120.200 0.224 0.000 2.204 939 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 939 E C 1.537 178.384 176.600 0.412 0.000 0.989 939 E CA 1.471 58.075 56.400 0.340 0.000 0.824 939 E CB -0.521 29.227 29.700 0.081 0.000 0.756 939 E HN 0.763 nan 8.360 nan 0.000 0.477 940 E N 0.609 120.992 120.200 0.303 0.000 2.072 940 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 940 E C 2.281 179.014 176.600 0.222 0.000 0.985 940 E CA 1.337 57.915 56.400 0.296 0.000 0.801 940 E CB 0.155 29.990 29.700 0.225 0.000 0.750 940 E HN 0.136 nan 8.360 nan 0.000 0.452 941 V N 1.135 121.126 119.914 0.127 0.000 2.427 941 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 941 V C 2.200 178.267 176.094 -0.046 0.000 1.051 941 V CA 1.630 63.943 62.300 0.021 0.000 1.048 941 V CB -0.468 31.333 31.823 -0.037 0.000 0.666 941 V HN 0.185 nan 8.190 nan 0.000 0.456 942 R N -1.002 119.497 120.500 -0.001 0.000 2.066 942 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 942 R C 2.261 178.548 176.300 -0.023 0.000 1.131 942 R CA 1.815 57.888 56.100 -0.045 0.000 0.955 942 R CB -0.464 29.873 30.300 0.062 0.000 0.851 942 R HN 0.714 nan 8.270 nan 0.000 0.432 943 W N 3.685 124.866 121.300 -0.198 0.000 2.317 943 W HA -0.299 4.361 4.660 -0.000 0.000 0.318 943 W C 1.682 178.128 176.519 -0.122 0.000 1.227 943 W CA 2.029 59.218 57.345 -0.260 0.000 1.269 943 W CB -0.053 29.389 29.460 -0.030 0.000 1.155 943 W HN 0.063 nan 8.180 nan 0.000 0.484 944 K N -0.169 120.106 120.400 -0.209 0.000 2.209 944 K HA -0.167 4.152 4.320 -0.000 0.000 0.204 944 K C 1.367 177.793 176.600 -0.291 0.000 1.048 944 K CA 1.715 57.811 56.287 -0.319 0.000 0.940 944 K CB -0.713 31.733 32.500 -0.089 0.000 0.729 944 K HN 0.056 nan 8.250 nan 0.000 0.451 945 N N 0.530 119.109 118.700 -0.202 0.000 2.353 945 N HA 0.039 4.779 4.740 -0.000 0.000 0.185 945 N C 0.134 175.577 175.510 -0.112 0.000 1.098 945 N CA 0.096 53.055 53.050 -0.152 0.000 0.872 945 N CB 0.173 38.564 38.487 -0.161 0.000 0.970 945 N HN 0.314 nan 8.380 nan 0.000 0.467 946 M N 1.034 120.523 119.600 -0.184 0.000 2.239 946 M HA 0.015 4.495 4.480 -0.000 0.000 0.348 946 M C -0.312 175.808 176.300 -0.300 0.000 1.239 946 M CA -0.158 55.007 55.300 -0.225 0.000 1.114 946 M CB 0.461 32.869 32.600 -0.320 0.000 1.641 946 M HN 0.017 nan 8.290 nan 0.000 0.453 947 Y N 4.138 124.239 120.300 -0.330 0.000 2.641 947 Y HA -0.020 4.530 4.550 -0.000 0.000 0.351 947 Y C 0.413 175.951 175.900 -0.603 0.000 1.269 947 Y CA 0.491 58.254 58.100 -0.561 0.000 1.485 947 Y CB 0.454 38.331 38.460 -0.971 0.000 1.364 947 Y HN 0.492 nan 8.280 nan 0.000 0.651 948 K N 0.269 120.447 120.400 -0.371 0.000 2.443 948 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 948 K C -1.236 175.185 176.600 -0.298 0.000 0.972 948 K CA -1.270 54.862 56.287 -0.260 0.000 0.833 948 K CB 1.639 34.038 32.500 -0.169 0.000 1.317 948 K HN 0.396 nan 8.250 nan 0.000 0.441 949 E N 0.618 120.754 120.200 -0.106 0.000 2.765 949 E HA 0.024 4.374 4.350 -0.000 0.000 0.256 949 E C 0.927 177.455 176.600 -0.120 0.000 0.935 949 E CA 2.499 58.859 56.400 -0.066 0.000 0.954 949 E CB -0.343 29.367 29.700 0.016 0.000 0.908 949 E HN 0.836 nan 8.360 nan 0.000 0.500 950 G N 3.940 112.654 108.800 -0.143 0.000 2.241 950 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 950 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 950 G C -0.047 174.746 174.900 -0.177 0.000 0.998 950 G CA 0.063 45.085 45.100 -0.130 0.000 0.621 950 G HN 0.639 nan 8.290 nan 0.000 0.519 951 D N 0.659 120.911 120.400 -0.247 0.000 2.368 951 D HA 0.467 5.107 4.640 -0.000 0.000 0.240 951 D C 1.193 177.311 176.300 -0.304 0.000 1.169 951 D CA 0.135 54.001 54.000 -0.224 0.000 0.906 951 D CB 0.712 41.420 40.800 -0.154 0.000 1.187 951 D HN 0.358 nan 8.370 nan 0.000 0.435 952 L N 0.547 121.638 121.223 -0.220 0.000 2.360 952 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 952 L C 1.307 177.994 176.870 -0.304 0.000 1.057 952 L CA -0.708 53.971 54.840 -0.268 0.000 0.803 952 L CB 1.321 43.281 42.059 -0.166 0.000 1.207 952 L HN 0.460 nan 8.230 nan 0.000 0.445 953 T N -3.536 110.718 114.554 -0.500 0.000 2.814 953 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 953 T C 1.216 175.799 174.700 -0.195 0.000 0.998 953 T CA -0.432 61.404 62.100 -0.440 0.000 0.935 953 T CB 0.488 68.699 68.868 -1.095 0.000 1.167 953 T HN 0.724 nan 8.240 nan 0.000 0.545 954 H N -0.073 118.976 119.070 -0.036 0.000 2.546 954 H HA 0.043 4.598 4.556 -0.000 0.000 0.277 954 H C 0.989 176.408 175.328 0.152 0.000 1.004 954 H CA 0.552 56.654 56.048 0.090 0.000 1.231 954 H CB -0.762 29.108 29.762 0.180 0.000 1.382 954 H HN 0.745 nan 8.280 nan 0.000 0.580 955 F N 0.140 119.879 119.950 -0.352 0.000 2.684 955 F HA 0.419 4.946 4.527 -0.000 0.000 0.298 955 F C -0.011 175.785 175.800 -0.007 0.000 1.120 955 F CA -1.144 56.748 58.000 -0.180 0.000 1.332 955 F CB -0.164 38.611 39.000 -0.376 0.000 0.986 955 F HN -0.178 nan 8.300 nan 0.000 0.524 956 N N 1.679 120.257 118.700 -0.203 0.000 2.735 956 N HA -0.262 4.478 4.740 -0.000 0.000 0.248 956 N C -0.361 175.039 175.510 -0.184 0.000 1.083 956 N CA 0.929 53.890 53.050 -0.149 0.000 0.703 956 N CB -1.051 37.431 38.487 -0.009 0.000 1.005 956 N HN 0.755 nan 8.380 nan 0.000 0.550 957 Q N 0.254 119.805 119.800 -0.416 0.000 2.282 957 Q HA 0.324 4.664 4.340 -0.000 0.000 0.260 957 Q C 0.046 175.896 176.000 -0.251 0.000 0.964 957 Q CA -0.670 54.996 55.803 -0.229 0.000 0.880 957 Q CB 1.654 30.334 28.738 -0.095 0.000 1.286 957 Q HN 0.211 nan 8.270 nan 0.000 0.445 958 R N 3.875 124.301 120.500 -0.124 0.000 2.491 958 R HA 0.175 4.515 4.340 -0.000 0.000 0.283 958 R C -0.825 175.409 176.300 -0.111 0.000 1.072 958 R CA -0.104 55.914 56.100 -0.137 0.000 1.048 958 R CB 0.362 30.619 30.300 -0.072 0.000 0.983 958 R HN 0.622 nan 8.270 nan 0.000 0.450 959 L N 5.265 126.352 121.223 -0.226 0.000 2.315 959 L HA 0.252 4.592 4.340 -0.000 0.000 0.278 959 L C -0.056 176.805 176.870 -0.016 0.000 1.088 959 L CA -0.030 54.697 54.840 -0.187 0.000 0.899 959 L CB 0.816 42.564 42.059 -0.518 0.000 1.277 959 L HN 0.538 nan 8.230 nan 0.000 0.431 960 E N 2.431 122.694 120.200 0.104 0.000 2.200 960 E HA 0.350 4.699 4.350 -0.000 0.000 0.283 960 E C 0.714 177.419 176.600 0.175 0.000 1.015 960 E CA -0.226 56.237 56.400 0.105 0.000 0.819 960 E CB 1.501 31.250 29.700 0.082 0.000 1.081 960 E HN 0.725 nan 8.360 nan 0.000 0.397 961 G N 3.518 112.396 108.800 0.129 0.000 2.298 961 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.287 961 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.287 961 G C -0.337 174.654 174.900 0.152 0.000 1.075 961 G CA -0.265 44.914 45.100 0.131 0.000 0.960 961 G HN 0.510 nan 8.290 nan 0.000 0.502 962 F N 2.337 122.219 119.950 -0.114 0.000 2.468 962 F HA 0.455 4.982 4.527 -0.000 0.000 0.356 962 F C 1.448 176.981 175.800 -0.445 0.000 1.167 962 F CA -0.142 57.605 58.000 -0.422 0.000 1.135 962 F CB 0.659 39.461 39.000 -0.330 0.000 1.197 962 F HN 0.291 nan 8.300 nan 0.000 0.569 963 S N 2.811 117.928 115.700 -0.972 0.000 2.557 963 S HA 0.031 4.501 4.470 -0.000 0.000 0.223 963 S C 1.584 175.837 174.600 -0.577 0.000 0.969 963 S CA 0.225 58.107 58.200 -0.530 0.000 0.927 963 S CB -0.357 62.731 63.200 -0.186 0.000 0.806 963 S HN 0.416 nan 8.310 nan 0.000 0.489 964 V N 2.975 122.221 119.914 -1.112 0.000 2.324 964 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 964 V C -0.404 175.600 176.094 -0.150 0.000 1.060 964 V CA 2.038 63.977 62.300 -0.602 0.000 1.042 964 V CB -1.753 29.590 31.823 -0.802 0.000 0.650 964 V HN 0.394 nan 8.190 nan 0.000 0.450 965 P HA -0.153 nan 4.420 nan 0.000 0.216 965 P C 1.755 179.156 177.300 0.168 0.000 1.153 965 P CA 1.494 64.733 63.100 0.230 0.000 0.858 965 P CB -0.094 31.797 31.700 0.318 0.000 0.789 966 R N -1.168 119.368 120.500 0.059 0.000 2.066 966 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 966 R C 2.307 178.641 176.300 0.057 0.000 1.131 966 R CA 1.628 57.756 56.100 0.047 0.000 0.955 966 R CB -1.242 29.066 30.300 0.013 0.000 0.851 966 R HN 0.243 nan 8.270 nan 0.000 0.432 967 C N -0.328 119.005 119.300 0.054 0.000 2.425 967 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 967 C C 2.376 177.437 174.990 0.119 0.000 1.280 967 C CA 0.057 59.119 59.018 0.074 0.000 1.744 967 C CB -1.097 26.691 27.740 0.080 0.000 1.989 967 C HN 0.665 nan 8.230 nan 0.000 0.491 968 W N 2.145 123.421 121.300 -0.041 0.000 2.354 968 W HA -0.121 4.539 4.660 -0.000 0.000 0.315 968 W C 1.852 178.313 176.519 -0.097 0.000 1.206 968 W CA 1.743 59.058 57.345 -0.050 0.000 1.290 968 W CB -0.521 28.945 29.460 0.010 0.000 1.152 968 W HN 0.382 nan 8.180 nan 0.000 0.489 969 D N 0.211 120.660 120.400 0.082 0.000 2.117 969 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 969 D C 1.941 178.192 176.300 -0.081 0.000 0.987 969 D CA 1.573 55.540 54.000 -0.055 0.000 0.829 969 D CB -0.567 40.221 40.800 -0.020 0.000 0.961 969 D HN 0.380 nan 8.370 nan 0.000 0.460 970 E N 0.082 120.259 120.200 -0.038 0.000 2.058 970 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 970 E C 2.241 178.797 176.600 -0.074 0.000 0.997 970 E CA 0.734 57.110 56.400 -0.040 0.000 0.801 970 E CB -0.179 29.513 29.700 -0.014 0.000 0.746 970 E HN 0.218 nan 8.360 nan 0.000 0.450 971 C N 0.798 120.035 119.300 -0.105 0.000 2.432 971 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 971 C C 2.647 177.516 174.990 -0.202 0.000 1.249 971 C CA 0.580 59.513 59.018 -0.142 0.000 1.725 971 C CB -1.081 26.558 27.740 -0.168 0.000 2.028 971 C HN 0.372 nan 8.230 nan 0.000 0.477 972 L N 0.705 121.734 121.223 -0.324 0.000 1.990 972 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 972 L C 2.747 179.551 176.870 -0.111 0.000 1.072 972 L CA 2.332 56.977 54.840 -0.326 0.000 0.755 972 L CB -0.794 41.027 42.059 -0.396 0.000 0.889 972 L HN 0.434 nan 8.230 nan 0.000 0.432 973 K N 0.097 120.453 120.400 -0.072 0.000 1.985 973 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 973 K C 2.354 178.942 176.600 -0.020 0.000 1.047 973 K CA 1.892 58.169 56.287 -0.017 0.000 0.932 973 K CB -0.119 32.371 32.500 -0.018 0.000 0.716 973 K HN 0.347 nan 8.250 nan 0.000 0.439 974 S N 0.310 115.990 115.700 -0.034 0.000 2.400 974 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 974 S C 1.997 176.584 174.600 -0.022 0.000 1.025 974 S CA 1.686 59.870 58.200 -0.025 0.000 0.993 974 S CB -0.532 62.652 63.200 -0.027 0.000 0.808 974 S HN 0.466 nan 8.310 nan 0.000 0.478 975 S N 0.398 116.078 115.700 -0.032 0.000 2.558 975 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 975 S C 0.653 175.245 174.600 -0.013 0.000 0.975 975 S CA 0.278 58.465 58.200 -0.021 0.000 0.912 975 S CB -0.709 62.474 63.200 -0.027 0.000 0.776 975 S HN 0.588 nan 8.310 nan 0.000 0.526 976 Q N -0.715 119.083 119.800 -0.004 0.000 2.475 976 Q HA -0.283 4.057 4.340 -0.000 0.000 0.280 976 Q C 0.262 176.255 176.000 -0.012 0.000 1.234 976 Q CA 0.685 56.494 55.803 0.009 0.000 0.873 976 Q CB -2.452 26.284 28.738 -0.004 0.000 1.256 976 Q HN 0.761 nan 8.270 nan 0.000 0.475 977 Y N -0.090 120.094 120.300 -0.192 0.000 2.002 977 Y HA -0.406 4.143 4.550 -0.000 0.000 0.268 977 Y C 1.723 177.440 175.900 -0.304 0.000 1.177 977 Y CA 2.762 60.667 58.100 -0.326 0.000 1.111 977 Y CB -0.562 37.553 38.460 -0.577 0.000 0.952 977 Y HN 0.395 nan 8.280 nan 0.000 0.491 978 Y N -0.480 119.834 120.300 0.023 0.000 2.114 978 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 978 Y C 2.703 178.534 175.900 -0.115 0.000 1.165 978 Y CA 1.383 59.447 58.100 -0.062 0.000 1.148 978 Y CB -1.071 37.413 38.460 0.039 0.000 0.972 978 Y HN 0.283 nan 8.280 nan 0.000 0.504 979 A N 0.480 123.335 122.820 0.058 0.000 1.902 979 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 979 A C 2.202 179.751 177.584 -0.059 0.000 1.181 979 A CA 1.676 53.718 52.037 0.008 0.000 0.623 979 A CB -0.567 18.441 19.000 0.013 0.000 0.818 979 A HN 0.411 nan 8.150 nan 0.000 0.443 980 R N -0.626 119.802 120.500 -0.119 0.000 2.189 980 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 980 R C 2.125 178.310 176.300 -0.192 0.000 1.092 980 R CA 1.338 57.349 56.100 -0.148 0.000 0.989 980 R CB -0.230 29.975 30.300 -0.158 0.000 0.876 980 R HN 0.594 nan 8.270 nan 0.000 0.457 981 K N 0.492 120.723 120.400 -0.282 0.000 2.211 981 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 981 K C 1.725 178.259 176.600 -0.111 0.000 1.050 981 K CA 1.183 57.312 56.287 -0.263 0.000 0.945 981 K CB 0.201 32.489 32.500 -0.354 0.000 0.732 981 K HN -0.028 nan 8.250 nan 0.000 0.451 982 S N 0.800 116.457 115.700 -0.071 0.000 2.395 982 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 982 S C 1.626 176.220 174.600 -0.011 0.000 1.027 982 S CA 0.792 58.978 58.200 -0.024 0.000 0.965 982 S CB -0.135 63.061 63.200 -0.008 0.000 0.812 982 S HN 0.395 nan 8.310 nan 0.000 0.482 983 E N 1.630 121.815 120.200 -0.024 0.000 2.110 983 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 983 E C 1.986 178.603 176.600 0.028 0.000 0.988 983 E CA 1.098 57.497 56.400 -0.001 0.000 0.804 983 E CB -0.179 29.503 29.700 -0.031 0.000 0.745 983 E HN 0.318 nan 8.360 nan 0.000 0.458 984 V N 1.995 121.903 119.914 -0.011 0.000 2.307 984 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 984 V C 2.087 178.230 176.094 0.081 0.000 1.045 984 V CA 2.135 64.445 62.300 0.017 0.000 1.024 984 V CB -0.560 31.238 31.823 -0.042 0.000 0.651 984 V HN 0.190 nan 8.190 nan 0.000 0.449 985 D N -0.147 120.276 120.400 0.039 0.000 2.144 985 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 985 D C 2.123 178.456 176.300 0.054 0.000 0.984 985 D CA 1.412 55.437 54.000 0.041 0.000 0.834 985 D CB -0.165 40.647 40.800 0.019 0.000 0.955 985 D HN 0.426 nan 8.370 nan 0.000 0.465 986 K N -0.201 120.235 120.400 0.061 0.000 2.002 986 K HA -0.156 4.163 4.320 -0.000 0.000 0.209 986 K C 2.171 178.820 176.600 0.080 0.000 1.048 986 K CA 0.769 57.090 56.287 0.056 0.000 0.930 986 K CB -0.354 32.179 32.500 0.055 0.000 0.714 986 K HN 0.027 nan 8.250 nan 0.000 0.438 987 F N 2.377 122.318 119.950 -0.016 0.000 2.091 987 F HA -0.283 4.243 4.527 -0.000 0.000 0.299 987 F C 1.757 177.550 175.800 -0.011 0.000 1.103 987 F CA 1.867 59.860 58.000 -0.010 0.000 1.228 987 F CB -0.314 38.678 39.000 -0.012 0.000 0.984 987 F HN 0.173 nan 8.300 nan 0.000 0.477 988 N N 0.595 119.393 118.700 0.164 0.000 2.223 988 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 988 N C 1.727 177.189 175.510 -0.081 0.000 1.016 988 N CA 1.261 54.335 53.050 0.039 0.000 0.863 988 N CB -0.375 38.163 38.487 0.084 0.000 0.983 988 N HN 0.402 nan 8.380 nan 0.000 0.429 989 K N 0.764 121.130 120.400 -0.057 0.000 2.155 989 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 989 K C 1.264 177.804 176.600 -0.101 0.000 1.052 989 K CA 0.774 57.020 56.287 -0.069 0.000 0.948 989 K CB 0.115 32.594 32.500 -0.035 0.000 0.728 989 K HN 0.348 nan 8.250 nan 0.000 0.448 990 E N 0.157 120.269 120.200 -0.146 0.000 2.442 990 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 990 E C -0.057 176.401 176.600 -0.237 0.000 1.030 990 E CA 0.211 56.512 56.400 -0.165 0.000 0.869 990 E CB 0.271 29.873 29.700 -0.163 0.000 0.857 990 E HN 0.203 nan 8.360 nan 0.000 0.505 991 N N 0.293 118.784 118.700 -0.349 0.000 2.399 991 N HA 0.082 4.822 4.740 -0.000 0.000 0.280 991 N C -0.509 174.852 175.510 -0.248 0.000 1.008 991 N CA -0.177 52.666 53.050 -0.344 0.000 0.894 991 N CB 1.989 40.063 38.487 -0.688 0.000 1.273 991 N HN -0.007 nan 8.380 nan 0.000 0.486 992 C N 1.941 121.100 119.300 -0.236 0.000 2.590 992 C HA 0.240 4.699 4.460 -0.000 0.000 0.272 992 C C 0.829 175.409 174.990 -0.683 0.000 1.338 992 C CA -0.195 58.527 59.018 -0.493 0.000 1.746 992 C CB -0.749 26.675 27.740 -0.526 0.000 2.020 992 C HN 0.862 nan 8.230 nan 0.000 0.531 993 W N 1.333 122.639 121.300 0.010 0.000 2.862 993 W HA 0.444 5.104 4.660 -0.000 0.000 0.376 993 W C 0.443 177.019 176.519 0.095 0.000 1.028 993 W CA -0.363 57.028 57.345 0.076 0.000 1.757 993 W CB 0.263 29.751 29.460 0.047 0.000 1.128 993 W HN -0.012 nan 8.180 nan 0.000 0.566 994 K N 1.224 121.753 120.400 0.215 0.000 2.498 994 K HA 0.426 4.746 4.320 -0.000 0.000 0.254 994 K C -0.457 176.331 176.600 0.314 0.000 0.933 994 K CA -0.860 55.596 56.287 0.282 0.000 0.806 994 K CB 2.324 35.037 32.500 0.354 0.000 1.301 994 K HN -0.423 nan 8.250 nan 0.000 0.432 995 K N 2.276 122.879 120.400 0.338 0.000 2.469 995 K HA 0.480 4.800 4.320 -0.000 0.000 0.254 995 K C -0.748 175.986 176.600 0.223 0.000 0.939 995 K CA -0.811 55.665 56.287 0.316 0.000 0.812 995 K CB 2.435 35.020 32.500 0.141 0.000 1.301 995 K HN 0.535 nan 8.250 nan 0.000 0.433 996 R N -0.122 120.479 120.500 0.167 0.000 2.732 996 R HA 0.715 5.055 4.340 -0.000 0.000 0.278 996 R C 0.051 176.357 176.300 0.011 0.000 0.976 996 R CA -0.903 55.179 56.100 -0.031 0.000 0.963 996 R CB 1.903 32.054 30.300 -0.249 0.000 1.150 996 R HN 0.765 nan 8.270 nan 0.000 0.478 997 G N 0.975 109.769 108.800 -0.011 0.000 2.619 997 G HA2 0.628 4.588 3.960 -0.000 0.000 0.296 997 G HA3 0.628 4.588 3.960 -0.000 0.000 0.296 997 G C -2.032 172.868 174.900 -0.001 0.000 1.334 997 G CA -0.411 44.695 45.100 0.010 0.000 0.934 997 G HN 0.357 nan 8.290 nan 0.000 0.476 998 L N 0.180 121.412 121.223 0.016 0.000 2.472 998 L HA 0.847 5.187 4.340 -0.000 0.000 0.260 998 L C -1.131 175.800 176.870 0.102 0.000 0.963 998 L CA -0.579 54.273 54.840 0.020 0.000 0.829 998 L CB 1.893 43.902 42.059 -0.084 0.000 1.348 998 L HN 0.913 nan 8.230 nan 0.000 0.408 999 C N 5.190 124.582 119.300 0.152 0.000 3.181 999 C HA 0.635 5.095 4.460 -0.000 0.000 0.362 999 C C -1.459 173.611 174.990 0.133 0.000 1.125 999 C CA -0.830 58.298 59.018 0.183 0.000 1.265 999 C CB 0.879 28.730 27.740 0.185 0.000 1.632 999 C HN 0.953 nan 8.230 nan 0.000 0.525 1000 I N 6.787 127.383 120.570 0.043 0.000 2.389 1000 I HA 0.657 4.827 4.170 -0.000 0.000 0.288 1000 I C -1.198 174.964 176.117 0.075 0.000 0.999 1000 I CA -0.537 60.701 61.300 -0.104 0.000 1.129 1000 I CB 0.780 38.422 38.000 -0.597 0.000 1.288 1000 I HN 0.532 nan 8.210 nan 0.000 0.444 1001 I N 9.605 130.262 120.570 0.144 0.000 2.474 1001 I HA 0.562 4.732 4.170 -0.000 0.000 0.294 1001 I C -2.443 173.870 176.117 0.326 0.000 1.005 1001 I CA -2.170 59.273 61.300 0.237 0.000 1.113 1001 I CB 1.753 39.813 38.000 0.100 0.000 1.289 1001 I HN 0.399 nan 8.210 nan 0.000 0.436 1002 P HA 0.530 nan 4.420 nan 0.000 0.292 1002 P C -0.759 176.708 177.300 0.277 0.000 1.304 1002 P CA -0.429 62.860 63.100 0.315 0.000 0.848 1002 P CB 2.981 34.798 31.700 0.196 0.000 1.260 1003 T N -1.424 113.283 114.554 0.255 0.000 2.893 1003 T HA 0.497 4.847 4.350 -0.000 0.000 0.337 1003 T C -1.955 172.922 174.700 0.295 0.000 1.587 1003 T CA -0.704 61.572 62.100 0.294 0.000 1.066 1003 T CB 0.962 70.084 68.868 0.423 0.000 1.414 1003 T HN 0.722 nan 8.240 nan 0.000 0.488 1004 K N 2.306 122.884 120.400 0.296 0.000 2.501 1004 K HA 0.726 5.046 4.320 -0.000 0.000 0.252 1004 K C -2.122 174.693 176.600 0.358 0.000 0.934 1004 K CA -0.887 55.572 56.287 0.288 0.000 0.797 1004 K CB 1.919 34.624 32.500 0.342 0.000 1.270 1004 K HN 0.424 nan 8.250 nan 0.000 0.431 1005 F N 1.746 121.747 119.950 0.085 0.000 2.536 1005 F HA 0.467 4.994 4.527 -0.000 0.000 0.322 1005 F C 0.045 175.741 175.800 -0.173 0.000 1.144 1005 F CA -0.244 57.789 58.000 0.055 0.000 0.924 1005 F CB 1.967 40.927 39.000 -0.066 0.000 1.181 1005 F HN 0.820 nan 8.300 nan 0.000 0.438 1006 G N 6.440 114.781 108.800 -0.765 0.000 2.398 1006 G HA2 0.372 4.332 3.960 -0.000 0.000 0.246 1006 G HA3 0.372 4.332 3.960 -0.000 0.000 0.246 1006 G C -0.656 173.459 174.900 -1.309 0.000 1.289 1006 G CA -0.405 43.489 45.100 -2.010 0.000 0.869 1006 G HN 0.492 nan 8.290 nan 0.000 0.543 1007 I N 1.448 121.460 120.570 -0.930 0.000 2.339 1007 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 1007 I C 0.321 176.263 176.117 -0.291 0.000 0.994 1007 I CA -0.099 60.861 61.300 -0.568 0.000 1.191 1007 I CB 0.213 37.636 38.000 -0.961 0.000 1.343 1007 I HN 0.528 nan 8.210 nan 0.000 0.458 1008 S N 4.361 119.941 115.700 -0.199 0.000 2.686 1008 S HA 0.129 4.599 4.470 -0.000 0.000 0.271 1008 S C -0.803 173.684 174.600 -0.189 0.000 0.709 1008 S CA -0.935 57.159 58.200 -0.177 0.000 1.213 1008 S CB -0.053 63.086 63.200 -0.102 0.000 1.505 1008 S HN 0.314 nan 8.310 nan 0.000 0.485 1009 F N 2.111 121.977 119.950 -0.141 0.000 2.484 1009 F HA 0.217 4.744 4.527 -0.000 0.000 0.360 1009 F C 2.228 177.928 175.800 -0.167 0.000 1.101 1009 F CA 0.667 58.567 58.000 -0.168 0.000 1.251 1009 F CB 0.883 39.756 39.000 -0.211 0.000 1.132 1009 F HN 0.769 nan 8.300 nan 0.000 0.570 1010 T N -1.105 113.487 114.554 0.064 0.000 3.085 1010 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 1010 T C 0.474 175.205 174.700 0.050 0.000 1.127 1010 T CA 0.158 62.257 62.100 -0.001 0.000 1.103 1010 T CB -0.400 68.565 68.868 0.162 0.000 0.921 1010 T HN 0.188 nan 8.240 nan 0.000 0.510 1011 V N 3.833 123.759 119.914 0.019 0.000 2.348 1011 V HA 0.225 4.344 4.120 -0.000 0.000 0.270 1011 V C -1.303 174.659 176.094 -0.221 0.000 1.037 1011 V CA -1.730 60.497 62.300 -0.122 0.000 0.872 1011 V CB 1.351 32.968 31.823 -0.343 0.000 1.002 1011 V HN 0.144 nan 8.190 nan 0.000 0.464 1012 P HA -0.219 nan 4.420 nan 0.000 0.215 1012 P C 1.597 178.856 177.300 -0.069 0.000 1.163 1012 P CA 1.601 64.667 63.100 -0.058 0.000 0.894 1012 P CB -0.032 31.686 31.700 0.031 0.000 0.791 1013 F N -1.534 118.389 119.950 -0.045 0.000 2.494 1013 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 1013 F C 1.550 177.268 175.800 -0.136 0.000 1.106 1013 F CA 0.894 58.852 58.000 -0.070 0.000 1.452 1013 F CB -1.662 37.308 39.000 -0.051 0.000 1.085 1013 F HN -0.158 nan 8.300 nan 0.000 0.569 1014 L N 0.582 121.471 121.223 -0.556 0.000 2.492 1014 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 1014 L C 0.759 177.343 176.870 -0.476 0.000 1.132 1014 L CA 0.278 54.704 54.840 -0.691 0.000 0.850 1014 L CB -0.617 40.641 42.059 -1.336 0.000 0.966 1014 L HN 0.148 nan 8.230 nan 0.000 0.454 1015 N N 2.434 121.031 118.700 -0.172 0.000 3.254 1015 N HA 0.052 4.792 4.740 -0.000 0.000 0.308 1015 N C -0.471 174.938 175.510 -0.167 0.000 1.281 1015 N CA 0.156 53.183 53.050 -0.038 0.000 1.212 1015 N CB 0.262 38.728 38.487 -0.035 0.000 1.478 1015 N HN 0.524 nan 8.380 nan 0.000 0.548 1016 Q N -0.871 118.813 119.800 -0.194 0.000 2.416 1016 Q HA 0.829 5.169 4.340 -0.000 0.000 0.281 1016 Q C -1.750 174.030 176.000 -0.367 0.000 1.067 1016 Q CA -1.272 54.330 55.803 -0.336 0.000 0.809 1016 Q CB 2.330 30.997 28.738 -0.118 0.000 1.418 1016 Q HN 0.067 nan 8.270 nan 0.000 0.411 1017 A N 0.739 123.189 122.820 -0.617 0.000 2.547 1017 A HA 0.884 5.204 4.320 -0.000 0.000 0.297 1017 A C -0.840 176.627 177.584 -0.195 0.000 1.056 1017 A CA -0.144 51.664 52.037 -0.380 0.000 0.688 1017 A CB 1.915 20.514 19.000 -0.668 0.000 1.282 1017 A HN 0.912 nan 8.150 nan 0.000 0.400 1018 G N -0.347 108.609 108.800 0.259 0.000 2.498 1018 G HA2 0.909 4.869 3.960 -0.000 0.000 0.312 1018 G HA3 0.909 4.869 3.960 -0.000 0.000 0.312 1018 G C -0.538 174.573 174.900 0.352 0.000 1.230 1018 G CA -0.076 45.257 45.100 0.388 0.000 0.968 1018 G HN 1.956 nan 8.290 nan 0.000 0.481 1019 A N -0.276 122.704 122.820 0.267 0.000 2.572 1019 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 1019 A C -1.915 175.732 177.584 0.105 0.000 1.072 1019 A CA -0.570 51.585 52.037 0.197 0.000 0.691 1019 A CB 2.117 21.234 19.000 0.195 0.000 1.291 1019 A HN 1.522 nan 8.150 nan 0.000 0.404 1020 L N 1.555 122.791 121.223 0.021 0.000 2.438 1020 L HA 0.814 5.154 4.340 -0.000 0.000 0.270 1020 L C -1.521 175.229 176.870 -0.200 0.000 0.972 1020 L CA -0.218 54.572 54.840 -0.082 0.000 0.831 1020 L CB 1.362 43.355 42.059 -0.109 0.000 1.273 1020 L HN 0.628 nan 8.230 nan 0.000 0.405 1021 I N 4.567 125.005 120.570 -0.219 0.000 2.533 1021 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 1021 I C -1.042 174.934 176.117 -0.235 0.000 1.056 1021 I CA -0.757 60.415 61.300 -0.213 0.000 1.057 1021 I CB 1.877 39.855 38.000 -0.037 0.000 1.240 1021 I HN 0.561 nan 8.210 nan 0.000 0.423 1022 H N 4.957 123.987 119.070 -0.068 0.000 2.572 1022 H HA 0.561 5.116 4.556 -0.000 0.000 0.359 1022 H C -0.937 174.229 175.328 -0.270 0.000 1.134 1022 H CA -0.793 55.116 56.048 -0.232 0.000 1.187 1022 H CB 2.637 32.129 29.762 -0.450 0.000 1.597 1022 H HN 0.153 nan 8.280 nan 0.000 0.524 1023 V N 3.961 123.794 119.914 -0.135 0.000 2.409 1023 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 1023 V C -0.477 175.481 176.094 -0.226 0.000 1.020 1023 V CA -0.815 61.453 62.300 -0.054 0.000 0.848 1023 V CB 0.515 32.382 31.823 0.075 0.000 0.990 1023 V HN 0.581 nan 8.190 nan 0.000 0.430 1024 Y N 1.750 122.088 120.300 0.065 0.000 2.334 1024 Y HA 0.222 4.772 4.550 -0.000 0.000 0.325 1024 Y C 2.152 178.002 175.900 -0.083 0.000 1.308 1024 Y CA 0.170 58.254 58.100 -0.027 0.000 1.389 1024 Y CB 0.903 39.349 38.460 -0.024 0.000 1.328 1024 Y HN 0.773 nan 8.280 nan 0.000 0.532 1025 T N -3.194 111.347 114.554 -0.021 0.000 2.996 1025 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 1025 T C 0.770 175.427 174.700 -0.072 0.000 1.126 1025 T CA 1.405 63.413 62.100 -0.153 0.000 1.103 1025 T CB -0.386 68.263 68.868 -0.365 0.000 0.870 1025 T HN 0.748 nan 8.240 nan 0.000 0.528 1026 D N 0.409 120.813 120.400 0.007 0.000 2.328 1026 D HA 0.233 4.873 4.640 -0.000 0.000 0.221 1026 D C 1.659 178.004 176.300 0.076 0.000 1.072 1026 D CA 0.444 54.456 54.000 0.019 0.000 0.850 1026 D CB -0.612 40.200 40.800 0.019 0.000 0.922 1026 D HN 0.544 nan 8.370 nan 0.000 0.516 1027 G N 0.590 109.450 108.800 0.101 0.000 2.225 1027 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 1027 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 1027 G C 0.432 175.591 174.900 0.432 0.000 0.988 1027 G CA 0.471 45.724 45.100 0.254 0.000 0.625 1027 G HN 0.847 nan 8.290 nan 0.000 0.527 1028 S N -0.302 115.568 115.700 0.283 0.000 2.564 1028 S HA 0.650 5.120 4.470 -0.000 0.000 0.278 1028 S C 0.114 174.915 174.600 0.334 0.000 1.333 1028 S CA -0.057 58.301 58.200 0.263 0.000 1.048 1028 S CB 2.372 65.678 63.200 0.176 0.000 0.900 1028 S HN 1.081 nan 8.310 nan 0.000 0.505 1029 V N 3.424 123.504 119.914 0.277 0.000 2.513 1029 V HA 0.545 4.665 4.120 -0.000 0.000 0.299 1029 V C -0.444 175.800 176.094 0.251 0.000 1.035 1029 V CA -0.882 61.567 62.300 0.249 0.000 0.889 1029 V CB 1.368 33.306 31.823 0.192 0.000 0.988 1029 V HN 0.884 nan 8.190 nan 0.000 0.440 1030 L N 5.946 127.316 121.223 0.244 0.000 2.319 1030 L HA 0.673 5.013 4.340 -0.000 0.000 0.281 1030 L C -0.539 176.382 176.870 0.086 0.000 1.005 1030 L CA 0.067 55.056 54.840 0.248 0.000 0.828 1030 L CB 1.580 43.897 42.059 0.429 0.000 1.227 1030 L HN 0.446 nan 8.230 nan 0.000 0.415 1031 V N 3.809 123.748 119.914 0.041 0.000 2.532 1031 V HA 0.724 4.844 4.120 -0.000 0.000 0.295 1031 V C 0.021 176.077 176.094 -0.063 0.000 1.041 1031 V CA -0.355 61.939 62.300 -0.010 0.000 0.926 1031 V CB 1.665 33.504 31.823 0.026 0.000 0.992 1031 V HN 0.844 nan 8.190 nan 0.000 0.457 1032 S N 2.918 118.577 115.700 -0.069 0.000 2.547 1032 S HA 0.800 5.270 4.470 -0.000 0.000 0.281 1032 S C -1.071 173.500 174.600 -0.047 0.000 1.118 1032 S CA -0.600 57.517 58.200 -0.137 0.000 0.947 1032 S CB 1.046 64.171 63.200 -0.125 0.000 1.053 1032 S HN 1.108 nan 8.310 nan 0.000 0.482 1033 H N 0.206 119.226 119.070 -0.083 0.000 2.966 1033 H HA 0.658 5.214 4.556 -0.000 0.000 0.330 1033 H C 0.980 176.191 175.328 -0.195 0.000 1.292 1033 H CA -0.459 55.547 56.048 -0.070 0.000 1.127 1033 H CB 0.607 30.335 29.762 -0.057 0.000 1.863 1033 H HN 0.556 nan 8.280 nan 0.000 0.543 1034 G N -0.352 108.394 108.800 -0.090 0.000 2.534 1034 G HA2 0.155 4.115 3.960 -0.000 0.000 0.217 1034 G HA3 0.155 4.115 3.960 -0.000 0.000 0.217 1034 G C 0.714 175.316 174.900 -0.497 0.000 1.128 1034 G CA 0.186 45.191 45.100 -0.158 0.000 0.784 1034 G HN 0.870 nan 8.290 nan 0.000 0.542 1035 G N 0.006 108.149 108.800 -1.094 0.000 2.503 1035 G HA2 0.447 4.407 3.960 -0.000 0.000 0.257 1035 G HA3 0.447 4.407 3.960 -0.000 0.000 0.257 1035 G C 0.162 174.937 174.900 -0.209 0.000 1.214 1035 G CA 0.425 45.170 45.100 -0.591 0.000 0.839 1035 G HN 0.380 nan 8.290 nan 0.000 0.559 1036 T N -1.468 112.999 114.554 -0.145 0.000 2.945 1036 T HA 0.582 4.932 4.350 -0.000 0.000 0.286 1036 T C -0.445 174.097 174.700 -0.263 0.000 1.025 1036 T CA -0.816 61.187 62.100 -0.162 0.000 1.039 1036 T CB 2.262 71.064 68.868 -0.111 0.000 1.068 1036 T HN 0.469 nan 8.240 nan 0.000 0.497 1037 E N 1.750 121.753 120.200 -0.328 0.000 2.134 1037 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 1037 E C 0.239 176.749 176.600 -0.150 0.000 0.959 1037 E CA -0.727 55.476 56.400 -0.328 0.000 0.783 1037 E CB 0.846 30.315 29.700 -0.385 0.000 1.095 1037 E HN 0.780 nan 8.360 nan 0.000 0.399 1038 M N 2.469 121.990 119.600 -0.131 0.000 2.504 1038 M HA 0.502 4.982 4.480 -0.000 0.000 0.370 1038 M C 0.769 177.005 176.300 -0.107 0.000 1.110 1038 M CA 0.096 55.313 55.300 -0.139 0.000 0.938 1038 M CB 0.809 33.270 32.600 -0.231 0.000 1.460 1038 M HN 0.596 nan 8.290 nan 0.000 0.535 1039 G N 1.710 110.508 108.800 -0.003 0.000 2.211 1039 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.201 1039 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.201 1039 G C 0.815 175.769 174.900 0.090 0.000 0.997 1039 G CA 0.378 45.511 45.100 0.054 0.000 0.652 1039 G HN 0.615 nan 8.290 nan 0.000 0.500 1040 Q N 1.457 121.271 119.800 0.022 0.000 2.472 1040 Q HA 0.313 4.653 4.340 -0.000 0.000 0.208 1040 Q C 1.567 177.580 176.000 0.021 0.000 0.958 1040 Q CA 1.419 57.232 55.803 0.018 0.000 0.932 1040 Q CB -0.378 28.344 28.738 -0.027 0.000 1.007 1040 Q HN 1.957 nan 8.270 nan 0.000 0.508 1041 G N 1.895 110.709 108.800 0.023 0.000 2.212 1041 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.255 1041 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.255 1041 G C 0.294 175.097 174.900 -0.161 0.000 1.062 1041 G CA 0.392 45.404 45.100 -0.146 0.000 0.815 1041 G HN 0.406 nan 8.290 nan 0.000 0.497 1042 L N -0.252 120.871 121.223 -0.168 0.000 2.056 1042 L HA 0.108 4.447 4.340 -0.000 0.000 0.207 1042 L C 2.472 179.302 176.870 -0.067 0.000 1.078 1042 L CA 2.655 57.413 54.840 -0.137 0.000 0.749 1042 L CB -0.409 41.552 42.059 -0.163 0.000 0.901 1042 L HN 0.402 nan 8.230 nan 0.000 0.433 1043 H N -0.979 118.042 119.070 -0.081 0.000 2.389 1043 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 1043 H C 2.130 177.385 175.328 -0.122 0.000 1.081 1043 H CA 1.708 57.721 56.048 -0.058 0.000 1.345 1043 H CB -0.871 28.833 29.762 -0.097 0.000 1.393 1043 H HN 0.332 nan 8.280 nan 0.000 0.520 1044 T N 1.214 115.720 114.554 -0.081 0.000 2.684 1044 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 1044 T C 2.015 176.683 174.700 -0.054 0.000 1.036 1044 T CA 1.445 63.480 62.100 -0.109 0.000 1.148 1044 T CB 0.030 68.780 68.868 -0.197 0.000 0.863 1044 T HN 0.351 nan 8.240 nan 0.000 0.436 1045 K N 0.325 120.692 120.400 -0.055 0.000 2.097 1045 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 1045 K C 2.341 178.934 176.600 -0.011 0.000 1.050 1045 K CA 0.978 57.246 56.287 -0.031 0.000 0.938 1045 K CB -0.130 32.348 32.500 -0.037 0.000 0.718 1045 K HN 0.231 nan 8.250 nan 0.000 0.442 1046 M N 0.416 120.003 119.600 -0.021 0.000 2.229 1046 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 1046 M C 2.175 178.484 176.300 0.014 0.000 1.063 1046 M CA 1.163 56.449 55.300 -0.024 0.000 1.114 1046 M CB -0.523 32.024 32.600 -0.089 0.000 1.387 1046 M HN -0.062 nan 8.290 nan 0.000 0.420 1047 V N 0.074 119.993 119.914 0.008 0.000 2.453 1047 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 1047 V C 2.361 178.460 176.094 0.008 0.000 1.048 1047 V CA 1.355 63.657 62.300 0.004 0.000 1.049 1047 V CB -0.633 31.183 31.823 -0.012 0.000 0.672 1047 V HN 0.492 nan 8.190 nan 0.000 0.457 1048 Q N -0.556 119.248 119.800 0.006 0.000 2.124 1048 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 1048 Q C 2.346 178.365 176.000 0.032 0.000 0.977 1048 Q CA 1.774 57.579 55.803 0.004 0.000 0.850 1048 Q CB -0.234 28.502 28.738 -0.005 0.000 0.901 1048 Q HN 0.540 nan 8.270 nan 0.000 0.429 1049 V N 0.726 120.691 119.914 0.085 0.000 2.270 1049 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 1049 V C 2.275 178.476 176.094 0.180 0.000 1.043 1049 V CA 1.805 64.231 62.300 0.209 0.000 1.014 1049 V CB -0.989 30.952 31.823 0.196 0.000 0.645 1049 V HN 0.390 nan 8.190 nan 0.000 0.447 1050 A N -0.383 122.495 122.820 0.097 0.000 1.908 1050 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 1050 A C 2.578 180.171 177.584 0.015 0.000 1.181 1050 A CA 2.414 54.487 52.037 0.060 0.000 0.627 1050 A CB -0.864 18.157 19.000 0.034 0.000 0.818 1050 A HN 0.523 nan 8.150 nan 0.000 0.445 1051 S N -0.522 115.174 115.700 -0.006 0.000 2.368 1051 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 1051 S C 2.113 176.685 174.600 -0.047 0.000 1.030 1051 S CA 1.980 60.146 58.200 -0.056 0.000 0.999 1051 S CB -0.313 62.856 63.200 -0.051 0.000 0.844 1051 S HN 0.638 nan 8.310 nan 0.000 0.459 1052 K N 0.476 120.870 120.400 -0.010 0.000 2.001 1052 K HA 0.035 4.355 4.320 -0.000 0.000 0.208 1052 K C 2.294 178.930 176.600 0.060 0.000 1.048 1052 K CA 1.133 57.405 56.287 -0.025 0.000 0.932 1052 K CB -0.627 31.782 32.500 -0.152 0.000 0.715 1052 K HN 0.387 nan 8.250 nan 0.000 0.437 1053 A N 1.315 124.235 122.820 0.166 0.000 1.908 1053 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 1053 A C 2.076 179.687 177.584 0.045 0.000 1.181 1053 A CA 1.452 53.584 52.037 0.158 0.000 0.627 1053 A CB -0.597 18.472 19.000 0.114 0.000 0.818 1053 A HN 0.356 nan 8.150 nan 0.000 0.445 1054 L N -2.165 119.055 121.223 -0.005 0.000 2.341 1054 L HA 0.038 4.378 4.340 -0.000 0.000 0.214 1054 L C 0.386 177.212 176.870 -0.074 0.000 1.115 1054 L CA 0.554 55.362 54.840 -0.053 0.000 0.820 1054 L CB -0.196 41.740 42.059 -0.204 0.000 0.944 1054 L HN 0.350 nan 8.230 nan 0.000 0.452 1055 K N 1.291 121.652 120.400 -0.064 0.000 3.239 1055 K HA -0.157 4.163 4.320 -0.000 0.000 0.270 1055 K C -0.621 175.901 176.600 -0.130 0.000 1.083 1055 K CA 0.493 56.753 56.287 -0.044 0.000 0.782 1055 K CB -1.596 30.935 32.500 0.052 0.000 1.290 1055 K HN 0.495 nan 8.250 nan 0.000 0.474 1056 I N -4.640 115.791 120.570 -0.233 0.000 2.994 1056 I HA 0.620 4.790 4.170 -0.000 0.000 0.306 1056 I C -2.802 173.191 176.117 -0.207 0.000 1.195 1056 I CA -3.194 57.916 61.300 -0.316 0.000 1.001 1056 I CB 2.371 39.949 38.000 -0.702 0.000 1.244 1056 I HN -0.278 nan 8.210 nan 0.000 0.437 1057 P HA 0.168 nan 4.420 nan 0.000 0.267 1057 P C 1.110 178.358 177.300 -0.086 0.000 1.200 1057 P CA -0.234 62.810 63.100 -0.095 0.000 0.772 1057 P CB 0.540 32.200 31.700 -0.067 0.000 0.855 1058 I N 0.213 120.754 120.570 -0.047 0.000 2.454 1058 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 1058 I C 1.636 177.755 176.117 0.003 0.000 1.156 1058 I CA 1.877 63.164 61.300 -0.023 0.000 1.433 1058 I CB -1.098 36.899 38.000 -0.005 0.000 1.082 1058 I HN 0.251 nan 8.210 nan 0.000 0.432 1059 S N 1.396 117.098 115.700 0.003 0.000 2.465 1059 S HA -0.150 4.320 4.470 -0.000 0.000 0.241 1059 S C 1.742 176.358 174.600 0.026 0.000 1.000 1059 S CA 1.032 59.245 58.200 0.023 0.000 0.964 1059 S CB -0.576 62.631 63.200 0.011 0.000 0.763 1059 S HN 0.623 nan 8.310 nan 0.000 0.512 1060 K N 0.319 120.718 120.400 -0.002 0.000 2.404 1060 K HA 0.379 4.699 4.320 -0.000 0.000 0.194 1060 K C -0.115 176.518 176.600 0.055 0.000 1.023 1060 K CA 0.100 56.395 56.287 0.014 0.000 1.094 1060 K CB 0.161 32.629 32.500 -0.052 0.000 0.841 1060 K HN 0.469 nan 8.250 nan 0.000 0.523 1061 I N 0.229 120.836 120.570 0.061 0.000 2.493 1061 I HA 0.295 4.465 4.170 -0.000 0.000 0.298 1061 I C -1.049 175.179 176.117 0.184 0.000 0.998 1061 I CA -1.265 60.093 61.300 0.097 0.000 1.137 1061 I CB 1.312 39.332 38.000 0.032 0.000 1.310 1061 I HN -0.123 nan 8.210 nan 0.000 0.445 1062 Y N 5.754 126.069 120.300 0.025 0.000 2.513 1062 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 1062 Y C -1.400 174.487 175.900 -0.022 0.000 1.055 1062 Y CA -0.804 57.300 58.100 0.007 0.000 1.020 1062 Y CB 1.795 40.267 38.460 0.020 0.000 1.301 1062 Y HN 0.346 nan 8.280 nan 0.000 0.453 1063 I N 4.373 124.505 120.570 -0.730 0.000 2.439 1063 I HA 0.224 4.394 4.170 -0.000 0.000 0.285 1063 I C 0.337 175.954 176.117 -0.834 0.000 1.021 1063 I CA -0.288 60.649 61.300 -0.605 0.000 1.091 1063 I CB 2.134 39.762 38.000 -0.621 0.000 1.242 1063 I HN 0.728 nan 8.210 nan 0.000 0.439 1064 S N 5.303 120.766 115.700 -0.394 0.000 2.371 1064 S HA 0.110 4.580 4.470 -0.000 0.000 0.219 1064 S C 0.436 174.933 174.600 -0.171 0.000 1.040 1064 S CA 0.867 58.975 58.200 -0.152 0.000 0.958 1064 S CB 0.267 63.537 63.200 0.115 0.000 0.860 1064 S HN 0.824 nan 8.310 nan 0.000 0.487 1065 E N -1.460 118.620 120.200 -0.200 0.000 2.357 1065 E HA 0.345 4.695 4.350 -0.000 0.000 0.264 1065 E C -1.658 174.836 176.600 -0.177 0.000 1.164 1065 E CA -0.991 55.330 56.400 -0.131 0.000 0.893 1065 E CB 0.662 30.343 29.700 -0.031 0.000 1.619 1065 E HN -0.013 nan 8.360 nan 0.000 0.464 1066 T N 1.098 115.586 114.554 -0.110 0.000 2.797 1066 T HA 0.646 4.996 4.350 -0.000 0.000 0.279 1066 T C -0.951 173.688 174.700 -0.101 0.000 0.991 1066 T CA -0.488 61.522 62.100 -0.150 0.000 0.979 1066 T CB 1.181 69.968 68.868 -0.135 0.000 0.943 1066 T HN 0.589 nan 8.240 nan 0.000 0.444 1067 S N 0.259 115.900 115.700 -0.097 0.000 2.536 1067 S HA 0.389 4.858 4.470 -0.000 0.000 0.271 1067 S C 1.008 175.573 174.600 -0.059 0.000 1.134 1067 S CA -0.657 57.497 58.200 -0.075 0.000 0.897 1067 S CB 1.333 64.498 63.200 -0.059 0.000 1.094 1067 S HN 0.714 nan 8.310 nan 0.000 0.473 1068 T N -0.796 113.721 114.554 -0.060 0.000 3.051 1068 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 1068 T C 1.121 175.804 174.700 -0.027 0.000 1.127 1068 T CA 1.317 63.392 62.100 -0.043 0.000 1.107 1068 T CB -0.770 68.066 68.868 -0.053 0.000 0.898 1068 T HN 0.759 nan 8.240 nan 0.000 0.517 1069 N N 1.214 119.899 118.700 -0.026 0.000 2.280 1069 N HA 0.001 4.741 4.740 -0.000 0.000 0.192 1069 N C 1.301 176.819 175.510 0.012 0.000 1.109 1069 N CA 0.798 53.843 53.050 -0.008 0.000 0.855 1069 N CB -0.229 38.252 38.487 -0.009 0.000 0.974 1069 N HN 0.630 nan 8.380 nan 0.000 0.482 1070 T N -2.931 111.627 114.554 0.007 0.000 3.056 1070 T HA 0.279 4.628 4.350 -0.000 0.000 0.241 1070 T C 0.447 175.157 174.700 0.017 0.000 1.006 1070 T CA 0.075 62.187 62.100 0.020 0.000 1.115 1070 T CB 0.017 68.887 68.868 0.002 0.000 0.939 1070 T HN -0.090 nan 8.240 nan 0.000 0.462 1071 V N 4.483 124.403 119.914 0.010 0.000 2.462 1071 V HA 0.498 4.618 4.120 -0.000 0.000 0.288 1071 V C -2.611 173.509 176.094 0.042 0.000 1.020 1071 V CA -1.930 60.396 62.300 0.043 0.000 0.857 1071 V CB 1.921 33.777 31.823 0.055 0.000 1.013 1071 V HN 0.315 nan 8.190 nan 0.000 0.431 1072 P HA 0.360 nan 4.420 nan 0.000 0.280 1072 P C -0.200 177.136 177.300 0.061 0.000 1.272 1072 P CA -0.368 62.753 63.100 0.035 0.000 0.819 1072 P CB 0.664 32.374 31.700 0.017 0.000 1.122 1073 N N -1.795 116.926 118.700 0.035 0.000 2.708 1073 N HA -0.144 4.596 4.740 -0.000 0.000 0.251 1073 N C -0.061 175.497 175.510 0.080 0.000 1.017 1073 N CA 1.016 54.092 53.050 0.043 0.000 0.742 1073 N CB -2.186 36.327 38.487 0.043 0.000 0.943 1073 N HN 0.605 nan 8.380 nan 0.000 0.539 1074 S N -1.784 113.964 115.700 0.080 0.000 2.565 1074 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 1074 S C 0.660 175.301 174.600 0.068 0.000 1.326 1074 S CA -0.692 57.582 58.200 0.124 0.000 1.045 1074 S CB 1.896 65.183 63.200 0.144 0.000 0.918 1074 S HN 0.187 nan 8.310 nan 0.000 0.505 1075 S N 3.650 119.385 115.700 0.060 0.000 2.600 1075 S HA 0.397 4.867 4.470 -0.000 0.000 0.265 1075 S C -2.038 172.585 174.600 0.038 0.000 1.325 1075 S CA -0.870 57.285 58.200 -0.075 0.000 1.002 1075 S CB -0.059 62.954 63.200 -0.311 0.000 0.921 1075 S HN 0.748 nan 8.310 nan 0.000 0.554 1076 P HA 0.104 nan 4.420 nan 0.000 0.272 1076 P C -0.805 176.630 177.300 0.225 0.000 1.230 1076 P CA -0.269 62.885 63.100 0.090 0.000 0.788 1076 P CB 0.085 31.826 31.700 0.068 0.000 0.949 1077 T N 1.448 116.098 114.554 0.160 0.000 2.848 1077 T HA 0.478 4.828 4.350 -0.000 0.000 0.283 1077 T C 0.267 175.048 174.700 0.134 0.000 0.919 1077 T CA 0.357 62.561 62.100 0.174 0.000 1.071 1077 T CB -0.687 68.218 68.868 0.062 0.000 0.912 1077 T HN 0.615 nan 8.240 nan 0.000 0.570 1078 A N 2.168 125.086 122.820 0.163 0.000 2.493 1078 A HA 0.856 5.176 4.320 -0.000 0.000 0.300 1078 A C 0.590 177.991 177.584 -0.306 0.000 1.152 1078 A CA -0.280 51.765 52.037 0.013 0.000 0.643 1078 A CB 0.110 19.175 19.000 0.107 0.000 1.316 1078 A HN 1.486 nan 8.150 nan 0.000 0.469 1079 A N -1.021 121.567 122.820 -0.386 0.000 2.979 1079 A HA 0.027 4.347 4.320 -0.000 0.000 0.260 1079 A C 1.263 178.661 177.584 -0.309 0.000 1.282 1079 A CA 1.806 53.525 52.037 -0.531 0.000 0.971 1079 A CB -2.499 15.735 19.000 -1.278 0.000 1.124 1079 A HN 2.503 nan 8.150 nan 0.000 0.826 1080 S N -4.349 111.243 115.700 -0.180 0.000 3.146 1080 S HA -0.361 4.109 4.470 -0.000 0.000 0.285 1080 S C 1.172 175.706 174.600 -0.110 0.000 1.293 1080 S CA 2.049 60.184 58.200 -0.107 0.000 1.137 1080 S CB -2.387 60.763 63.200 -0.083 0.000 1.357 1080 S HN 2.306 nan 8.310 nan 0.000 0.678 1081 V N -1.919 117.885 119.914 -0.183 0.000 3.647 1081 V HA 0.227 4.346 4.120 -0.000 0.000 0.279 1081 V C 1.720 177.773 176.094 -0.068 0.000 1.314 1081 V CA 0.928 63.145 62.300 -0.138 0.000 1.125 1081 V CB 0.121 31.812 31.823 -0.219 0.000 0.907 1081 V HN 0.390 nan 8.190 nan 0.000 0.434 1082 S N 1.761 117.466 115.700 0.010 0.000 2.374 1082 S HA -0.232 4.238 4.470 -0.000 0.000 0.227 1082 S C 1.971 176.651 174.600 0.134 0.000 1.037 1082 S CA 2.429 60.738 58.200 0.182 0.000 1.024 1082 S CB -0.668 62.686 63.200 0.256 0.000 0.861 1082 S HN 0.763 nan 8.310 nan 0.000 0.456 1083 T N 2.047 116.624 114.554 0.038 0.000 2.737 1083 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 1083 T C 1.446 176.112 174.700 -0.056 0.000 1.038 1083 T CA 1.514 63.611 62.100 -0.005 0.000 1.144 1083 T CB -0.610 68.251 68.868 -0.011 0.000 0.866 1083 T HN 0.313 nan 8.240 nan 0.000 0.434 1084 D N 1.333 121.698 120.400 -0.058 0.000 2.103 1084 D HA -0.097 4.543 4.640 -0.000 0.000 0.190 1084 D C 2.112 178.270 176.300 -0.237 0.000 0.997 1084 D CA 1.271 55.210 54.000 -0.101 0.000 0.833 1084 D CB -0.377 40.421 40.800 -0.003 0.000 0.961 1084 D HN 0.578 nan 8.370 nan 0.000 0.447 1085 I N -2.911 117.527 120.570 -0.221 0.000 2.480 1085 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 1085 I C 1.767 177.657 176.117 -0.378 0.000 1.124 1085 I CA 0.823 61.949 61.300 -0.289 0.000 1.444 1085 I CB -0.541 37.317 38.000 -0.238 0.000 1.098 1085 I HN -0.042 nan 8.210 nan 0.000 0.428 1086 Y N 2.271 122.509 120.300 -0.105 0.000 2.337 1086 Y HA 0.122 4.672 4.550 -0.000 0.000 0.293 1086 Y C 2.802 178.596 175.900 -0.175 0.000 1.123 1086 Y CA 0.964 58.985 58.100 -0.132 0.000 1.201 1086 Y CB -0.421 37.908 38.460 -0.219 0.000 1.011 1086 Y HN 0.213 nan 8.280 nan 0.000 0.545 1087 G N -0.457 108.293 108.800 -0.082 0.000 2.422 1087 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 1087 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 1087 G C 1.471 176.279 174.900 -0.154 0.000 1.146 1087 G CA 0.932 45.968 45.100 -0.106 0.000 0.769 1087 G HN 0.265 nan 8.290 nan 0.000 0.547 1088 Q N 0.526 120.138 119.800 -0.313 0.000 2.046 1088 Q HA 0.184 4.524 4.340 -0.000 0.000 0.200 1088 Q C 2.739 178.667 176.000 -0.119 0.000 0.975 1088 Q CA 1.754 57.309 55.803 -0.413 0.000 0.836 1088 Q CB -0.564 27.513 28.738 -1.102 0.000 0.896 1088 Q HN 0.357 nan 8.270 nan 0.000 0.428 1089 A N -0.705 122.077 122.820 -0.064 0.000 1.933 1089 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 1089 A C 2.244 179.893 177.584 0.109 0.000 1.175 1089 A CA 1.606 53.688 52.037 0.075 0.000 0.628 1089 A CB -0.770 18.296 19.000 0.111 0.000 0.814 1089 A HN 0.271 nan 8.150 nan 0.000 0.444 1090 V N -1.504 118.465 119.914 0.092 0.000 2.358 1090 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 1090 V C 2.302 178.451 176.094 0.092 0.000 1.047 1090 V CA 1.990 64.344 62.300 0.090 0.000 1.035 1090 V CB -0.971 30.892 31.823 0.067 0.000 0.658 1090 V HN 0.718 nan 8.190 nan 0.000 0.452 1091 Y N 1.331 121.609 120.300 -0.037 0.000 2.128 1091 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 1091 Y C 2.639 178.538 175.900 -0.002 0.000 1.154 1091 Y CA 2.064 60.138 58.100 -0.043 0.000 1.149 1091 Y CB -0.095 38.274 38.460 -0.151 0.000 0.976 1091 Y HN 0.229 nan 8.280 nan 0.000 0.505 1092 E N 0.263 120.526 120.200 0.105 0.000 2.077 1092 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 1092 E C 2.398 179.000 176.600 0.004 0.000 0.989 1092 E CA 1.170 57.603 56.400 0.055 0.000 0.800 1092 E CB -0.754 29.037 29.700 0.151 0.000 0.746 1092 E HN 0.587 nan 8.360 nan 0.000 0.452 1093 A N 0.570 123.411 122.820 0.035 0.000 1.969 1093 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 1093 A C 2.592 180.179 177.584 0.005 0.000 1.169 1093 A CA 1.266 53.324 52.037 0.035 0.000 0.635 1093 A CB -0.773 18.259 19.000 0.052 0.000 0.810 1093 A HN 0.330 nan 8.150 nan 0.000 0.445 1094 C N -0.824 118.453 119.300 -0.038 0.000 2.440 1094 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 1094 C C 2.861 177.802 174.990 -0.081 0.000 1.295 1094 C CA 1.025 60.016 59.018 -0.045 0.000 1.738 1094 C CB -0.926 26.765 27.740 -0.082 0.000 1.987 1094 C HN 0.597 nan 8.230 nan 0.000 0.492 1095 Q N 0.523 120.207 119.800 -0.194 0.000 2.084 1095 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 1095 Q C 2.211 178.186 176.000 -0.042 0.000 0.978 1095 Q CA 1.919 57.627 55.803 -0.160 0.000 0.844 1095 Q CB -1.221 27.393 28.738 -0.206 0.000 0.898 1095 Q HN 0.645 nan 8.270 nan 0.000 0.426 1096 T N 2.148 116.692 114.554 -0.016 0.000 2.652 1096 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 1096 T C 1.924 176.646 174.700 0.037 0.000 1.039 1096 T CA 1.095 63.206 62.100 0.018 0.000 1.153 1096 T CB -0.143 68.742 68.868 0.030 0.000 0.863 1096 T HN 0.110 nan 8.240 nan 0.000 0.428 1097 I N 1.279 121.881 120.570 0.055 0.000 2.163 1097 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 1097 I C 2.422 178.602 176.117 0.105 0.000 1.085 1097 I CA 1.347 62.702 61.300 0.092 0.000 1.347 1097 I CB -1.472 36.618 38.000 0.150 0.000 1.044 1097 I HN 0.273 nan 8.210 nan 0.000 0.408 1098 L N 0.250 121.536 121.223 0.105 0.000 2.079 1098 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 1098 L C 2.572 179.472 176.870 0.050 0.000 1.081 1098 L CA 1.450 56.353 54.840 0.105 0.000 0.752 1098 L CB -0.576 41.527 42.059 0.074 0.000 0.896 1098 L HN 0.235 nan 8.230 nan 0.000 0.433 1099 K N -0.217 120.202 120.400 0.031 0.000 2.097 1099 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 1099 K C 2.226 178.840 176.600 0.023 0.000 1.050 1099 K CA 1.115 57.410 56.287 0.014 0.000 0.938 1099 K CB -0.074 32.433 32.500 0.011 0.000 0.718 1099 K HN 0.294 nan 8.250 nan 0.000 0.442 1100 R N 0.475 121.006 120.500 0.051 0.000 2.148 1100 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 1100 R C 2.067 178.461 176.300 0.158 0.000 1.088 1100 R CA 0.759 56.911 56.100 0.086 0.000 0.985 1100 R CB -0.079 30.268 30.300 0.078 0.000 0.880 1100 R HN 0.154 nan 8.270 nan 0.000 0.451 1101 L N 0.333 121.627 121.223 0.118 0.000 2.446 1101 L HA -0.015 4.325 4.340 -0.000 0.000 0.219 1101 L C 2.257 179.150 176.870 0.038 0.000 1.116 1101 L CA 0.251 55.187 54.840 0.159 0.000 0.844 1101 L CB -0.202 41.898 42.059 0.067 0.000 0.970 1101 L HN 0.087 nan 8.230 nan 0.000 0.457 1102 E N 1.012 121.180 120.200 -0.053 0.000 2.068 1102 E HA -0.238 4.112 4.350 -0.000 0.000 0.207 1102 E C -0.274 176.176 176.600 -0.250 0.000 1.032 1102 E CA 2.055 58.359 56.400 -0.160 0.000 0.839 1102 E CB -1.342 28.293 29.700 -0.108 0.000 0.758 1102 E HN 0.321 nan 8.360 nan 0.000 0.457 1103 P HA -0.154 nan 4.420 nan 0.000 0.216 1103 P C 1.339 178.297 177.300 -0.570 0.000 1.153 1103 P CA 1.427 64.240 63.100 -0.479 0.000 0.858 1103 P CB -0.281 31.020 31.700 -0.666 0.000 0.789 1104 F N -0.060 119.778 119.950 -0.186 0.000 2.206 1104 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 1104 F C 2.465 178.025 175.800 -0.399 0.000 1.090 1104 F CA 1.123 59.014 58.000 -0.182 0.000 1.323 1104 F CB -0.803 38.145 39.000 -0.086 0.000 1.028 1104 F HN -0.155 nan 8.300 nan 0.000 0.492 1105 K N 1.216 121.234 120.400 -0.637 0.000 2.057 1105 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1105 K C 2.213 178.542 176.600 -0.451 0.000 1.050 1105 K CA 1.374 56.959 56.287 -1.170 0.000 0.935 1105 K CB -0.166 31.558 32.500 -1.294 0.000 0.715 1105 K HN 0.148 nan 8.250 nan 0.000 0.439 1106 K N 0.776 120.987 120.400 -0.316 0.000 2.147 1106 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 1106 K C 1.906 178.441 176.600 -0.110 0.000 1.049 1106 K CA 1.317 57.497 56.287 -0.178 0.000 0.936 1106 K CB 0.143 32.541 32.500 -0.170 0.000 0.722 1106 K HN 0.073 nan 8.250 nan 0.000 0.446 1107 K N -0.139 120.192 120.400 -0.115 0.000 2.155 1107 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 1107 K C 0.625 177.253 176.600 0.047 0.000 1.052 1107 K CA 0.870 57.135 56.287 -0.038 0.000 0.948 1107 K CB 0.069 32.546 32.500 -0.038 0.000 0.728 1107 K HN 0.022 nan 8.250 nan 0.000 0.448 1108 N N -0.021 118.743 118.700 0.107 0.000 2.703 1108 N HA 0.162 4.902 4.740 -0.000 0.000 0.283 1108 N C -2.472 173.255 175.510 0.362 0.000 1.851 1108 N CA -1.825 51.364 53.050 0.232 0.000 0.826 1108 N CB 1.041 39.716 38.487 0.313 0.000 1.239 1108 N HN -0.228 nan 8.380 nan 0.000 0.495 1109 P HA -0.147 nan 4.420 nan 0.000 0.218 1109 P C 0.261 177.766 177.300 0.341 0.000 1.152 1109 P CA 1.328 64.575 63.100 0.244 0.000 0.857 1109 P CB 0.286 32.059 31.700 0.122 0.000 0.787 1110 D N -1.501 119.047 120.400 0.246 0.000 2.340 1110 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 1110 D C 1.387 177.775 176.300 0.147 0.000 1.039 1110 D CA 0.411 54.516 54.000 0.176 0.000 0.866 1110 D CB -0.312 40.554 40.800 0.110 0.000 0.913 1110 D HN 0.125 nan 8.370 nan 0.000 0.523 1111 G N 0.693 109.634 108.800 0.235 0.000 2.684 1111 G HA2 0.266 4.226 3.960 -0.000 0.000 0.255 1111 G HA3 0.266 4.226 3.960 -0.000 0.000 0.255 1111 G C 0.299 174.972 174.900 -0.377 0.000 1.219 1111 G CA -0.239 44.877 45.100 0.026 0.000 0.901 1111 G HN 0.184 nan 8.290 nan 0.000 0.548 1112 S N -0.891 114.486 115.700 -0.539 0.000 2.690 1112 S HA 0.206 4.676 4.470 -0.000 0.000 0.291 1112 S C 1.024 175.049 174.600 -0.957 0.000 1.138 1112 S CA -0.548 57.295 58.200 -0.595 0.000 1.013 1112 S CB 1.356 64.400 63.200 -0.260 0.000 1.053 1112 S HN 0.825 nan 8.310 nan 0.000 0.539 1113 W N 1.817 122.614 121.300 -0.838 0.000 2.321 1113 W HA -0.227 4.433 4.660 -0.000 0.000 0.306 1113 W C 0.952 177.311 176.519 -0.266 0.000 1.217 1113 W CA 2.359 59.394 57.345 -0.516 0.000 1.257 1113 W CB -0.510 28.834 29.460 -0.194 0.000 1.145 1113 W HN 0.857 nan 8.180 nan 0.000 0.509 1114 E N 0.723 120.831 120.200 -0.153 0.000 2.110 1114 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 1114 E C 1.685 178.161 176.600 -0.207 0.000 0.988 1114 E CA 1.971 58.273 56.400 -0.163 0.000 0.804 1114 E CB -0.667 29.009 29.700 -0.040 0.000 0.745 1114 E HN 0.227 nan 8.360 nan 0.000 0.458 1115 D N -0.697 119.556 120.400 -0.245 0.000 2.144 1115 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 1115 D C 1.574 177.863 176.300 -0.019 0.000 0.978 1115 D CA 0.738 54.657 54.000 -0.135 0.000 0.833 1115 D CB -0.199 40.526 40.800 -0.126 0.000 0.961 1115 D HN 0.293 nan 8.370 nan 0.000 0.470 1116 W N 1.202 122.427 121.300 -0.125 0.000 2.381 1116 W HA -0.036 4.623 4.660 -0.000 0.000 0.301 1116 W C 2.343 178.640 176.519 -0.369 0.000 1.205 1116 W CA 0.009 57.257 57.345 -0.162 0.000 1.285 1116 W CB -1.351 28.046 29.460 -0.104 0.000 1.133 1116 W HN -0.146 nan 8.180 nan 0.000 0.521 1117 V N 0.824 120.575 119.914 -0.273 0.000 2.261 1117 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 1117 V C 2.311 178.264 176.094 -0.236 0.000 1.047 1117 V CA 2.327 64.402 62.300 -0.375 0.000 1.015 1117 V CB -0.999 30.514 31.823 -0.516 0.000 0.642 1117 V HN 0.044 nan 8.190 nan 0.000 0.446 1118 M N 0.813 120.316 119.600 -0.162 0.000 2.117 1118 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 1118 M C 2.053 178.300 176.300 -0.087 0.000 1.065 1118 M CA 2.172 57.433 55.300 -0.064 0.000 1.114 1118 M CB -0.859 31.716 32.600 -0.041 0.000 1.361 1118 M HN 0.267 nan 8.290 nan 0.000 0.408 1119 A N -0.347 122.373 122.820 -0.167 0.000 1.902 1119 A HA 0.016 4.335 4.320 -0.000 0.000 0.217 1119 A C 2.381 179.547 177.584 -0.697 0.000 1.181 1119 A CA 2.168 54.059 52.037 -0.243 0.000 0.623 1119 A CB -1.458 17.508 19.000 -0.055 0.000 0.818 1119 A HN 0.642 nan 8.150 nan 0.000 0.443 1120 A N -1.398 120.787 122.820 -1.058 0.000 1.902 1120 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 1120 A C 2.158 179.485 177.584 -0.429 0.000 1.181 1120 A CA 1.755 53.091 52.037 -1.168 0.000 0.623 1120 A CB -0.862 17.704 19.000 -0.723 0.000 0.818 1120 A HN 0.758 nan 8.150 nan 0.000 0.443 1121 Y N 0.554 120.654 120.300 -0.334 0.000 2.114 1121 Y HA -0.238 4.311 4.550 -0.000 0.000 0.284 1121 Y C 2.518 178.338 175.900 -0.133 0.000 1.143 1121 Y CA 2.265 60.255 58.100 -0.183 0.000 1.135 1121 Y CB -0.358 38.020 38.460 -0.137 0.000 0.980 1121 Y HN 0.332 nan 8.280 nan 0.000 0.499 1122 Q N -0.314 119.341 119.800 -0.241 0.000 2.234 1122 Q HA -0.218 4.121 4.340 -0.000 0.000 0.206 1122 Q C 1.190 177.065 176.000 -0.209 0.000 0.980 1122 Q CA 1.869 57.529 55.803 -0.238 0.000 0.869 1122 Q CB -0.467 28.231 28.738 -0.067 0.000 0.912 1122 Q HN 0.557 nan 8.270 nan 0.000 0.436 1123 D N -0.210 120.091 120.400 -0.166 0.000 2.325 1123 D HA 0.052 4.691 4.640 -0.000 0.000 0.225 1123 D C -0.441 175.818 176.300 -0.068 0.000 1.096 1123 D CA -0.111 53.869 54.000 -0.034 0.000 0.844 1123 D CB 0.094 41.010 40.800 0.193 0.000 0.925 1123 D HN 0.051 nan 8.370 nan 0.000 0.513 1124 R N -0.734 119.648 120.500 -0.197 0.000 3.264 1124 R HA -0.131 4.208 4.340 -0.000 0.000 0.251 1124 R C -1.007 175.251 176.300 -0.071 0.000 0.971 1124 R CA 0.073 56.069 56.100 -0.173 0.000 0.658 1124 R CB -2.112 28.109 30.300 -0.131 0.000 1.095 1124 R HN 0.028 nan 8.270 nan 0.000 0.443 1125 V N 0.891 120.770 119.914 -0.058 0.000 2.398 1125 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 1125 V C 0.805 176.898 176.094 -0.001 0.000 1.026 1125 V CA -0.415 61.890 62.300 0.007 0.000 0.868 1125 V CB 1.861 33.727 31.823 0.072 0.000 0.982 1125 V HN 0.393 nan 8.190 nan 0.000 0.443 1126 S N 4.870 120.580 115.700 0.016 0.000 2.546 1126 S HA 0.183 4.653 4.470 -0.000 0.000 0.290 1126 S C 0.401 175.015 174.600 0.024 0.000 1.290 1126 S CA -0.083 58.131 58.200 0.024 0.000 1.069 1126 S CB 0.007 63.224 63.200 0.027 0.000 0.846 1126 S HN 0.601 nan 8.310 nan 0.000 0.495 1127 L N 4.367 125.602 121.223 0.020 0.000 2.984 1127 L HA 0.333 4.673 4.340 -0.000 0.000 0.246 1127 L C 0.431 177.316 176.870 0.025 0.000 1.268 1127 L CA -0.209 54.633 54.840 0.004 0.000 1.054 1127 L CB 0.345 42.386 42.059 -0.031 0.000 1.393 1127 L HN 0.565 nan 8.230 nan 0.000 0.532 1128 S N -0.666 115.070 115.700 0.060 0.000 2.547 1128 S HA 0.729 5.199 4.470 -0.000 0.000 0.281 1128 S C -0.687 173.970 174.600 0.094 0.000 1.118 1128 S CA -0.300 57.984 58.200 0.139 0.000 0.947 1128 S CB 2.131 65.459 63.200 0.213 0.000 1.053 1128 S HN 0.079 nan 8.310 nan 0.000 0.482 1129 T N 1.936 116.533 114.554 0.072 0.000 2.885 1129 T HA 0.611 4.961 4.350 -0.000 0.000 0.322 1129 T C -0.542 174.179 174.700 0.035 0.000 1.387 1129 T CA -0.282 61.849 62.100 0.051 0.000 1.041 1129 T CB 1.367 70.264 68.868 0.048 0.000 1.287 1129 T HN 0.902 nan 8.240 nan 0.000 0.491 1130 T N 0.607 115.191 114.554 0.049 0.000 2.881 1130 T HA 0.826 5.176 4.350 -0.000 0.000 0.278 1130 T C 0.435 175.193 174.700 0.095 0.000 0.982 1130 T CA -0.432 61.708 62.100 0.066 0.000 0.989 1130 T CB 1.370 70.280 68.868 0.070 0.000 1.058 1130 T HN 0.974 nan 8.240 nan 0.000 0.529 1131 G N -0.260 108.628 108.800 0.146 0.000 2.667 1131 G HA2 0.626 4.586 3.960 -0.000 0.000 0.298 1131 G HA3 0.626 4.586 3.960 -0.000 0.000 0.298 1131 G C -2.127 172.956 174.900 0.304 0.000 1.377 1131 G CA -0.755 44.453 45.100 0.180 0.000 0.964 1131 G HN 0.689 nan 8.290 nan 0.000 0.493 1132 F N 0.736 120.750 119.950 0.106 0.000 2.626 1132 F HA 0.804 5.331 4.527 -0.000 0.000 0.311 1132 F C -1.851 174.059 175.800 0.184 0.000 1.088 1132 F CA -1.200 56.871 58.000 0.119 0.000 0.949 1132 F CB 2.465 41.510 39.000 0.075 0.000 1.322 1132 F HN 0.566 nan 8.300 nan 0.000 0.461 1133 Y N 3.441 123.326 120.300 -0.692 0.000 2.513 1133 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 1133 Y C -1.579 173.951 175.900 -0.616 0.000 1.055 1133 Y CA -1.111 56.717 58.100 -0.453 0.000 1.020 1133 Y CB 1.537 39.806 38.460 -0.317 0.000 1.301 1133 Y HN 0.699 nan 8.280 nan 0.000 0.453 1134 R N 3.687 123.546 120.500 -1.068 0.000 2.483 1134 R HA 0.434 4.773 4.340 -0.000 0.000 0.303 1134 R C -1.307 174.338 176.300 -1.091 0.000 0.987 1134 R CA -0.477 55.146 56.100 -0.794 0.000 0.881 1134 R CB 1.301 31.419 30.300 -0.305 0.000 1.177 1134 R HN 0.806 nan 8.270 nan 0.000 0.451 1135 T N 7.028 121.062 114.554 -0.867 0.000 2.867 1135 T HA 0.122 4.472 4.350 -0.000 0.000 0.297 1135 T C -2.037 172.421 174.700 -0.403 0.000 0.989 1135 T CA -0.495 61.210 62.100 -0.659 0.000 1.159 1135 T CB 0.649 69.267 68.868 -0.417 0.000 0.928 1135 T HN 0.459 nan 8.240 nan 0.000 0.538 1136 P HA 0.190 nan 4.420 nan 0.000 0.277 1136 P C -0.277 177.036 177.300 0.022 0.000 1.240 1136 P CA -0.546 62.503 63.100 -0.086 0.000 0.798 1136 P CB 0.512 32.217 31.700 0.008 0.000 0.979 1137 N N -0.175 118.539 118.700 0.024 0.000 2.714 1137 N HA -0.156 4.584 4.740 -0.000 0.000 0.253 1137 N C -0.699 174.834 175.510 0.039 0.000 1.024 1137 N CA 0.846 53.923 53.050 0.045 0.000 0.726 1137 N CB -1.666 36.868 38.487 0.079 0.000 0.908 1137 N HN 0.483 nan 8.380 nan 0.000 0.542 1138 L N -0.551 120.670 121.223 -0.002 0.000 2.346 1138 L HA 0.770 5.110 4.340 -0.000 0.000 0.274 1138 L C 0.850 177.707 176.870 -0.021 0.000 1.007 1138 L CA -0.654 54.169 54.840 -0.027 0.000 0.818 1138 L CB 2.169 44.189 42.059 -0.065 0.000 1.284 1138 L HN 0.267 nan 8.230 nan 0.000 0.424 1139 G N 1.678 110.466 108.800 -0.021 0.000 3.112 1139 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.234 1139 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.234 1139 G C -1.629 173.288 174.900 0.030 0.000 3.847 1139 G CA -0.681 44.424 45.100 0.009 0.000 0.449 1139 G HN 0.384 nan 8.290 nan 0.000 0.332 1140 Y N 1.965 122.213 120.300 -0.087 0.000 2.299 1140 Y HA 0.732 5.282 4.550 -0.000 0.000 0.326 1140 Y C 0.301 176.205 175.900 0.007 0.000 1.164 1140 Y CA -0.280 57.772 58.100 -0.080 0.000 1.234 1140 Y CB 1.967 40.315 38.460 -0.188 0.000 1.219 1140 Y HN 0.456 nan 8.280 nan 0.000 0.497 1141 S N 5.366 120.512 115.700 -0.924 0.000 2.519 1141 S HA 0.343 4.813 4.470 -0.000 0.000 0.309 1141 S C 0.091 174.141 174.600 -0.917 0.000 1.100 1141 S CA -0.646 57.204 58.200 -0.582 0.000 1.059 1141 S CB 0.185 63.207 63.200 -0.296 0.000 1.008 1141 S HN 0.722 nan 8.310 nan 0.000 0.478 1142 F N 2.410 122.155 119.950 -0.341 0.000 2.325 1142 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 1142 F C 2.325 178.082 175.800 -0.072 0.000 1.090 1142 F CA 0.682 58.639 58.000 -0.072 0.000 1.392 1142 F CB 0.164 39.222 39.000 0.097 0.000 1.053 1142 F HN 0.563 nan 8.300 nan 0.000 0.521 1143 E N -0.621 119.620 120.200 0.068 0.000 2.208 1143 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 1143 E C 2.068 178.661 176.600 -0.013 0.000 0.988 1143 E CA 1.696 58.120 56.400 0.039 0.000 0.828 1143 E CB -0.689 29.029 29.700 0.030 0.000 0.763 1143 E HN 0.421 nan 8.360 nan 0.000 0.478 1144 T N -2.914 111.589 114.554 -0.086 0.000 3.040 1144 T HA 0.085 4.435 4.350 -0.000 0.000 0.266 1144 T C 0.485 175.127 174.700 -0.097 0.000 1.005 1144 T CA 0.039 62.094 62.100 -0.076 0.000 0.906 1144 T CB -0.502 68.318 68.868 -0.080 0.000 1.082 1144 T HN 0.173 nan 8.240 nan 0.000 0.531 1145 N N 1.476 120.079 118.700 -0.163 0.000 2.699 1145 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 1145 N C -0.542 174.959 175.510 -0.016 0.000 0.993 1145 N CA 0.535 53.542 53.050 -0.071 0.000 0.759 1145 N CB -0.956 37.584 38.487 0.087 0.000 0.906 1145 N HN 0.849 nan 8.380 nan 0.000 0.541 1146 S N -0.749 114.835 115.700 -0.195 0.000 2.596 1146 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 1146 S C -0.084 174.476 174.600 -0.065 0.000 1.155 1146 S CA -0.126 58.051 58.200 -0.039 0.000 0.827 1146 S CB 2.060 65.235 63.200 -0.042 0.000 1.130 1146 S HN 1.054 nan 8.310 nan 0.000 0.467 1147 G N 1.301 110.129 108.800 0.046 0.000 2.784 1147 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 1147 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 1147 G C -1.389 173.589 174.900 0.131 0.000 1.156 1147 G CA -1.139 43.990 45.100 0.048 0.000 0.757 1147 G HN 0.842 nan 8.290 nan 0.000 0.642 1148 N N 0.577 119.311 118.700 0.057 0.000 2.452 1148 N HA 0.392 5.132 4.740 -0.000 0.000 0.266 1148 N C 1.281 176.708 175.510 -0.138 0.000 1.175 1148 N CA 0.568 53.626 53.050 0.013 0.000 0.945 1148 N CB 1.626 40.122 38.487 0.015 0.000 1.063 1148 N HN 0.995 nan 8.380 nan 0.000 0.472 1149 A N 3.008 125.590 122.820 -0.397 0.000 1.984 1149 A HA 0.181 4.501 4.320 -0.000 0.000 0.214 1149 A C 0.151 176.933 177.584 -1.337 0.000 1.173 1149 A CA 0.805 52.172 52.037 -1.116 0.000 0.673 1149 A CB 0.120 17.751 19.000 -2.281 0.000 0.830 1149 A HN 0.570 nan 8.150 nan 0.000 0.453 1150 F N -3.983 115.738 119.950 -0.381 0.000 2.611 1150 F HA 0.499 5.025 4.527 -0.000 0.000 0.324 1150 F C 0.976 176.628 175.800 -0.247 0.000 1.061 1150 F CA -0.736 56.998 58.000 -0.443 0.000 0.954 1150 F CB 1.044 39.551 39.000 -0.821 0.000 1.301 1150 F HN 0.063 nan 8.300 nan 0.000 0.482 1151 H N -0.259 118.720 119.070 -0.151 0.000 2.497 1151 H HA 0.144 4.700 4.556 -0.000 0.000 0.282 1151 H C -0.976 174.417 175.328 0.110 0.000 1.003 1151 H CA 1.182 57.221 56.048 -0.014 0.000 1.307 1151 H CB 0.267 30.061 29.762 0.054 0.000 1.437 1151 H HN 0.519 nan 8.280 nan 0.000 0.544 1152 Y N -4.480 115.734 120.300 -0.143 0.000 2.960 1152 Y HA 0.393 4.943 4.550 -0.000 0.000 0.361 1152 Y C -2.010 173.638 175.900 -0.420 0.000 1.318 1152 Y CA -2.067 55.947 58.100 -0.144 0.000 1.103 1152 Y CB 0.460 38.892 38.460 -0.046 0.000 1.650 1152 Y HN -0.210 nan 8.280 nan 0.000 0.436 1153 F N 0.090 120.067 119.950 0.045 0.000 2.577 1153 F HA 0.742 5.268 4.527 -0.000 0.000 0.318 1153 F C -0.206 175.336 175.800 -0.430 0.000 1.065 1153 F CA -0.936 56.857 58.000 -0.344 0.000 0.929 1153 F CB 2.598 41.288 39.000 -0.517 0.000 1.237 1153 F HN 0.512 nan 8.300 nan 0.000 0.468 1154 T N 1.529 115.938 114.554 -0.242 0.000 2.859 1154 T HA 0.591 4.941 4.350 -0.000 0.000 0.281 1154 T C -1.250 173.255 174.700 -0.325 0.000 1.005 1154 T CA -0.476 61.534 62.100 -0.149 0.000 1.025 1154 T CB 0.626 69.520 68.868 0.043 0.000 0.977 1154 T HN 0.319 nan 8.240 nan 0.000 0.458 1155 Y N 0.059 120.441 120.300 0.138 0.000 2.602 1155 Y HA 0.775 5.325 4.550 -0.000 0.000 0.342 1155 Y C 0.650 176.593 175.900 0.072 0.000 1.029 1155 Y CA -0.945 57.198 58.100 0.072 0.000 1.080 1155 Y CB 2.540 40.964 38.460 -0.060 0.000 1.284 1155 Y HN 0.932 nan 8.280 nan 0.000 0.485 1156 G N -0.178 108.778 108.800 0.259 0.000 2.489 1156 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 1156 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 1156 G C -2.470 172.551 174.900 0.201 0.000 1.487 1156 G CA -0.694 44.521 45.100 0.191 0.000 0.795 1156 G HN 0.496 nan 8.290 nan 0.000 0.513 1157 V N -0.317 119.699 119.914 0.169 0.000 2.841 1157 V HA 0.889 5.009 4.120 -0.000 0.000 0.310 1157 V C -0.023 176.137 176.094 0.110 0.000 1.090 1157 V CA -0.269 62.140 62.300 0.181 0.000 0.930 1157 V CB 1.736 33.675 31.823 0.193 0.000 1.014 1157 V HN 1.768 nan 8.190 nan 0.000 0.425 1158 A N 2.364 125.249 122.820 0.109 0.000 2.393 1158 A HA 0.788 5.108 4.320 -0.000 0.000 0.306 1158 A C -0.944 176.664 177.584 0.040 0.000 1.050 1158 A CA -0.464 51.619 52.037 0.078 0.000 0.724 1158 A CB 1.694 20.800 19.000 0.177 0.000 1.248 1158 A HN 1.089 nan 8.150 nan 0.000 0.424 1159 C N 1.903 121.206 119.300 0.006 0.000 2.345 1159 C HA 0.861 5.321 4.460 -0.000 0.000 0.323 1159 C C -0.133 174.886 174.990 0.048 0.000 1.276 1159 C CA -0.060 58.964 59.018 0.010 0.000 1.543 1159 C CB 0.192 27.917 27.740 -0.026 0.000 2.211 1159 C HN 0.843 nan 8.230 nan 0.000 0.493 1160 S N 3.743 119.491 115.700 0.081 0.000 2.536 1160 S HA 0.555 5.025 4.470 -0.000 0.000 0.287 1160 S C -1.274 173.362 174.600 0.060 0.000 1.101 1160 S CA -0.461 57.788 58.200 0.082 0.000 0.950 1160 S CB 1.698 64.984 63.200 0.144 0.000 1.056 1160 S HN 0.879 nan 8.310 nan 0.000 0.481 1161 E N 1.666 121.885 120.200 0.032 0.000 2.212 1161 E HA 0.706 5.056 4.350 -0.000 0.000 0.268 1161 E C -1.145 175.465 176.600 0.016 0.000 0.902 1161 E CA -0.791 55.609 56.400 0.000 0.000 0.779 1161 E CB 1.505 31.179 29.700 -0.044 0.000 1.172 1161 E HN 0.514 nan 8.360 nan 0.000 0.409 1162 V N 0.120 120.041 119.914 0.011 0.000 3.160 1162 V HA 0.668 4.788 4.120 -0.000 0.000 0.310 1162 V C -1.052 175.044 176.094 0.004 0.000 1.181 1162 V CA -0.830 61.503 62.300 0.056 0.000 1.047 1162 V CB 1.943 33.835 31.823 0.116 0.000 1.068 1162 V HN 0.801 nan 8.190 nan 0.000 0.441 1163 E N 1.565 121.796 120.200 0.052 0.000 2.265 1163 E HA 0.586 4.936 4.350 -0.000 0.000 0.262 1163 E C -1.171 175.514 176.600 0.142 0.000 0.889 1163 E CA -0.790 55.621 56.400 0.019 0.000 0.789 1163 E CB 1.945 31.602 29.700 -0.071 0.000 1.221 1163 E HN 0.925 nan 8.360 nan 0.000 0.414 1164 I N 0.652 121.311 120.570 0.149 0.000 2.498 1164 I HA 0.527 4.697 4.170 -0.000 0.000 0.301 1164 I C -0.261 175.973 176.117 0.195 0.000 0.984 1164 I CA -0.773 60.633 61.300 0.176 0.000 1.204 1164 I CB 1.618 39.682 38.000 0.107 0.000 1.362 1164 I HN 0.318 nan 8.210 nan 0.000 0.471 1165 D N 5.069 125.586 120.400 0.194 0.000 2.428 1165 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 1165 D C 0.638 177.057 176.300 0.199 0.000 1.123 1165 D CA -0.456 53.667 54.000 0.204 0.000 0.869 1165 D CB 1.332 42.242 40.800 0.184 0.000 1.032 1165 D HN 0.765 nan 8.370 nan 0.000 0.506 1166 C N 3.302 122.745 119.300 0.238 0.000 2.413 1166 C HA -0.046 4.414 4.460 -0.000 0.000 0.292 1166 C C 2.436 177.592 174.990 0.278 0.000 1.435 1166 C CA 0.131 59.303 59.018 0.257 0.000 1.791 1166 C CB -0.963 26.968 27.740 0.318 0.000 1.784 1166 C HN 0.657 nan 8.230 nan 0.000 0.548 1167 L N 0.448 121.813 121.223 0.237 0.000 2.463 1167 L HA 0.032 4.371 4.340 -0.000 0.000 0.219 1167 L C 2.528 179.439 176.870 0.068 0.000 1.088 1167 L CA 1.541 56.457 54.840 0.127 0.000 0.849 1167 L CB -0.282 41.798 42.059 0.034 0.000 1.012 1167 L HN 0.508 nan 8.230 nan 0.000 0.468 1168 T N -5.871 108.757 114.554 0.125 0.000 2.954 1168 T HA 0.284 4.634 4.350 -0.000 0.000 0.252 1168 T C 1.418 176.261 174.700 0.238 0.000 0.983 1168 T CA 0.625 62.812 62.100 0.144 0.000 0.941 1168 T CB 1.103 70.076 68.868 0.175 0.000 1.141 1168 T HN 0.251 nan 8.240 nan 0.000 0.500 1169 G N 1.433 110.343 108.800 0.183 0.000 2.176 1169 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.232 1169 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.232 1169 G C -0.225 174.749 174.900 0.123 0.000 0.986 1169 G CA 0.124 45.303 45.100 0.131 0.000 0.643 1169 G HN 0.842 nan 8.290 nan 0.000 0.522 1170 D N 0.947 121.429 120.400 0.138 0.000 2.329 1170 D HA 0.570 5.210 4.640 -0.000 0.000 0.246 1170 D C 0.585 176.998 176.300 0.189 0.000 1.111 1170 D CA 0.221 54.288 54.000 0.112 0.000 0.941 1170 D CB 0.403 41.214 40.800 0.019 0.000 1.169 1170 D HN 0.549 nan 8.370 nan 0.000 0.441 1171 H N -0.788 118.301 119.070 0.031 0.000 3.017 1171 H HA 0.489 5.045 4.556 -0.000 0.000 0.346 1171 H C -1.258 174.125 175.328 0.092 0.000 1.286 1171 H CA -0.958 55.127 56.048 0.062 0.000 1.120 1171 H CB 0.654 30.430 29.762 0.023 0.000 1.860 1171 H HN 0.282 nan 8.280 nan 0.000 0.542 1172 K N 1.152 121.559 120.400 0.011 0.000 2.207 1172 K HA 0.305 4.625 4.320 -0.000 0.000 0.255 1172 K C -0.626 176.000 176.600 0.044 0.000 0.941 1172 K CA -1.042 55.248 56.287 0.005 0.000 0.825 1172 K CB 1.332 33.921 32.500 0.147 0.000 1.119 1172 K HN 0.436 nan 8.250 nan 0.000 0.430 1173 N N 3.701 122.410 118.700 0.014 0.000 2.678 1173 N HA 0.136 4.876 4.740 -0.000 0.000 0.231 1173 N C 0.804 176.352 175.510 0.063 0.000 1.038 1173 N CA -0.000 53.092 53.050 0.070 0.000 0.932 1173 N CB 0.626 39.140 38.487 0.045 0.000 1.176 1173 N HN 0.456 nan 8.380 nan 0.000 0.511 1174 L N 0.677 121.936 121.223 0.060 0.000 1.994 1174 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 1174 L C 1.115 178.004 176.870 0.032 0.000 1.071 1174 L CA 1.150 56.018 54.840 0.046 0.000 0.745 1174 L CB 0.001 42.045 42.059 -0.026 0.000 0.892 1174 L HN 0.371 nan 8.230 nan 0.000 0.431 1175 R N -1.116 119.392 120.500 0.012 0.000 2.594 1175 R HA 0.391 4.730 4.340 -0.000 0.000 0.265 1175 R C -1.704 174.597 176.300 0.001 0.000 1.070 1175 R CA -0.349 55.757 56.100 0.010 0.000 0.909 1175 R CB 2.065 32.368 30.300 0.006 0.000 1.243 1175 R HN -0.191 nan 8.270 nan 0.000 0.455 1176 T N 2.498 117.046 114.554 -0.009 0.000 2.916 1176 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 1176 T C -1.722 172.993 174.700 0.024 0.000 1.031 1176 T CA -0.620 61.459 62.100 -0.036 0.000 0.993 1176 T CB 1.656 70.390 68.868 -0.225 0.000 1.045 1176 T HN 0.551 nan 8.240 nan 0.000 0.454 1177 D N 1.909 122.307 120.400 -0.003 0.000 2.629 1177 D HA 0.619 5.259 4.640 -0.000 0.000 0.250 1177 D C -0.648 175.637 176.300 -0.026 0.000 1.126 1177 D CA -0.324 53.675 54.000 -0.000 0.000 0.852 1177 D CB 1.514 42.307 40.800 -0.011 0.000 1.335 1177 D HN 0.356 nan 8.370 nan 0.000 0.518 1178 I N 1.685 122.238 120.570 -0.027 0.000 2.545 1178 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 1178 I C -0.890 175.225 176.117 -0.003 0.000 1.040 1178 I CA -1.151 60.137 61.300 -0.020 0.000 1.068 1178 I CB 2.216 40.190 38.000 -0.044 0.000 1.251 1178 I HN 0.023 nan 8.210 nan 0.000 0.424 1179 V N 6.052 125.979 119.914 0.022 0.000 2.409 1179 V HA 0.444 4.563 4.120 -0.000 0.000 0.290 1179 V C -0.412 175.719 176.094 0.062 0.000 1.017 1179 V CA -0.407 61.912 62.300 0.031 0.000 0.841 1179 V CB 1.615 33.453 31.823 0.025 0.000 1.003 1179 V HN 0.633 nan 8.190 nan 0.000 0.426 1180 M N 3.997 123.632 119.600 0.060 0.000 2.383 1180 M HA 0.547 5.027 4.480 -0.000 0.000 0.325 1180 M C -0.833 175.517 176.300 0.084 0.000 1.092 1180 M CA -0.442 54.906 55.300 0.081 0.000 0.961 1180 M CB 1.714 34.353 32.600 0.065 0.000 1.672 1180 M HN 0.666 nan 8.290 nan 0.000 0.438 1181 D N 3.369 123.838 120.400 0.116 0.000 2.467 1181 D HA 0.352 4.992 4.640 -0.000 0.000 0.220 1181 D C -0.188 176.178 176.300 0.111 0.000 1.103 1181 D CA -0.451 53.622 54.000 0.120 0.000 0.886 1181 D CB 0.635 41.544 40.800 0.181 0.000 1.025 1181 D HN 0.397 nan 8.370 nan 0.000 0.514 1182 V N 2.149 122.108 119.914 0.075 0.000 2.982 1182 V HA 0.631 4.751 4.120 -0.000 0.000 0.368 1182 V C 1.197 177.314 176.094 0.038 0.000 1.350 1182 V CA 0.172 62.509 62.300 0.060 0.000 1.251 1182 V CB -0.429 31.418 31.823 0.039 0.000 1.284 1182 V HN 0.660 nan 8.190 nan 0.000 0.533 1183 G N 1.499 110.322 108.800 0.037 0.000 2.574 1183 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.282 1183 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.282 1183 G C 0.129 175.036 174.900 0.012 0.000 1.257 1183 G CA 0.148 45.252 45.100 0.006 0.000 0.956 1183 G HN 0.985 nan 8.290 nan 0.000 0.560 1184 S N 0.438 116.139 115.700 0.002 0.000 2.485 1184 S HA 0.492 4.962 4.470 -0.000 0.000 0.312 1184 S C 0.605 175.214 174.600 0.015 0.000 1.102 1184 S CA 0.637 58.845 58.200 0.014 0.000 1.066 1184 S CB 0.995 64.203 63.200 0.013 0.000 1.102 1184 S HN 1.146 nan 8.310 nan 0.000 0.519 1185 S N 3.439 119.150 115.700 0.017 0.000 2.563 1185 S HA 0.082 4.552 4.470 -0.000 0.000 0.294 1185 S C 1.354 175.952 174.600 -0.003 0.000 1.279 1185 S CA -0.443 57.759 58.200 0.003 0.000 1.069 1185 S CB 0.025 63.219 63.200 -0.011 0.000 0.828 1185 S HN 0.674 nan 8.310 nan 0.000 0.497 1186 L N 3.562 124.783 121.223 -0.003 0.000 2.217 1186 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 1186 L C 1.070 177.921 176.870 -0.032 0.000 1.107 1186 L CA 0.591 55.430 54.840 -0.001 0.000 0.783 1186 L CB -0.223 41.846 42.059 0.018 0.000 0.919 1186 L HN 0.636 nan 8.230 nan 0.000 0.442 1187 N N -0.811 117.855 118.700 -0.057 0.000 2.699 1187 N HA 0.107 4.847 4.740 -0.000 0.000 0.271 1187 N C -2.329 173.084 175.510 -0.162 0.000 1.216 1187 N CA -0.976 52.014 53.050 -0.100 0.000 0.844 1187 N CB 1.695 40.129 38.487 -0.089 0.000 1.462 1187 N HN -0.259 nan 8.380 nan 0.000 0.555 1188 P HA -0.012 nan 4.420 nan 0.000 0.226 1188 P C 0.940 177.958 177.300 -0.470 0.000 1.153 1188 P CA 0.591 63.476 63.100 -0.358 0.000 0.777 1188 P CB 0.496 31.874 31.700 -0.537 0.000 0.794 1189 A N 0.520 123.042 122.820 -0.496 0.000 1.872 1189 A HA -0.087 4.232 4.320 -0.000 0.000 0.214 1189 A C 2.209 179.547 177.584 -0.410 0.000 1.187 1189 A CA 1.139 52.797 52.037 -0.631 0.000 0.614 1189 A CB -1.179 17.215 19.000 -1.010 0.000 0.826 1189 A HN -0.007 nan 8.150 nan 0.000 0.442 1190 I N 0.687 121.101 120.570 -0.260 0.000 2.252 1190 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 1190 I C 0.018 176.073 176.117 -0.103 0.000 1.102 1190 I CA 0.641 61.865 61.300 -0.126 0.000 1.385 1190 I CB -1.688 36.267 38.000 -0.074 0.000 1.064 1190 I HN 0.198 nan 8.210 nan 0.000 0.414 1191 D N 0.484 120.813 120.400 -0.118 0.000 2.341 1191 D HA 0.358 4.997 4.640 -0.000 0.000 0.245 1191 D C 1.472 177.704 176.300 -0.113 0.000 1.106 1191 D CA -0.014 53.936 54.000 -0.083 0.000 0.905 1191 D CB 1.897 42.656 40.800 -0.069 0.000 1.202 1191 D HN 0.126 nan 8.370 nan 0.000 0.426 1192 I N -0.180 120.344 120.570 -0.077 0.000 4.488 1192 I HA -0.327 3.843 4.170 -0.000 0.000 0.054 1192 I C 1.868 177.933 176.117 -0.088 0.000 0.609 1192 I CA 1.288 62.529 61.300 -0.099 0.000 1.027 1192 I CB -1.219 36.691 38.000 -0.150 0.000 0.922 1192 I HN 0.535 nan 8.210 nan 0.000 0.162 1193 G N 0.829 109.576 108.800 -0.089 0.000 2.422 1193 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 1193 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 1193 G C 1.213 176.113 174.900 0.000 0.000 1.146 1193 G CA 1.139 46.212 45.100 -0.044 0.000 0.769 1193 G HN 0.459 nan 8.290 nan 0.000 0.547 1194 Q N 0.001 119.801 119.800 0.001 0.000 2.137 1194 Q HA 0.057 4.397 4.340 -0.000 0.000 0.198 1194 Q C 2.957 178.991 176.000 0.057 0.000 0.960 1194 Q CA 0.549 56.373 55.803 0.036 0.000 0.847 1194 Q CB -0.435 28.314 28.738 0.019 0.000 0.915 1194 Q HN 0.403 nan 8.270 nan 0.000 0.448 1195 V N 1.504 121.439 119.914 0.034 0.000 2.307 1195 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 1195 V C 2.091 178.268 176.094 0.138 0.000 1.045 1195 V CA 1.865 64.206 62.300 0.068 0.000 1.024 1195 V CB -0.382 31.450 31.823 0.015 0.000 0.651 1195 V HN 0.381 nan 8.190 nan 0.000 0.449 1196 E N 0.096 120.337 120.200 0.068 0.000 2.072 1196 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 1196 E C 2.299 179.060 176.600 0.269 0.000 0.985 1196 E CA 1.207 57.702 56.400 0.157 0.000 0.801 1196 E CB -0.499 29.167 29.700 -0.056 0.000 0.750 1196 E HN 0.641 nan 8.360 nan 0.000 0.452 1197 G N 1.298 110.188 108.800 0.150 0.000 2.421 1197 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 1197 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 1197 G C 1.718 176.702 174.900 0.140 0.000 1.171 1197 G CA 0.898 46.072 45.100 0.124 0.000 0.775 1197 G HN 0.345 nan 8.290 nan 0.000 0.543 1198 A N 0.325 123.238 122.820 0.156 0.000 1.902 1198 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 1198 A C 2.185 179.852 177.584 0.138 0.000 1.181 1198 A CA 1.622 53.736 52.037 0.129 0.000 0.623 1198 A CB -0.587 18.479 19.000 0.109 0.000 0.818 1198 A HN 0.409 nan 8.150 nan 0.000 0.443 1199 F N 0.770 120.783 119.950 0.104 0.000 2.095 1199 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 1199 F C 2.196 178.054 175.800 0.097 0.000 1.104 1199 F CA 2.115 60.192 58.000 0.130 0.000 1.232 1199 F CB -0.260 38.877 39.000 0.229 0.000 0.987 1199 F HN 0.028 nan 8.300 nan 0.000 0.475 1200 V N 0.207 120.234 119.914 0.189 0.000 2.515 1200 V HA -0.283 3.836 4.120 -0.000 0.000 0.250 1200 V C 2.268 178.308 176.094 -0.090 0.000 1.058 1200 V CA 2.031 64.361 62.300 0.050 0.000 1.064 1200 V CB -0.732 31.190 31.823 0.165 0.000 0.675 1200 V HN 0.414 nan 8.190 nan 0.000 0.461 1201 Q N -0.141 119.604 119.800 -0.090 0.000 2.167 1201 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 1201 Q C 2.348 178.200 176.000 -0.247 0.000 0.970 1201 Q CA 1.425 57.135 55.803 -0.154 0.000 0.855 1201 Q CB -0.337 28.327 28.738 -0.123 0.000 0.911 1201 Q HN 0.733 nan 8.270 nan 0.000 0.438 1202 G N 0.930 109.584 108.800 -0.243 0.000 2.402 1202 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 1202 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 1202 G C 1.349 176.099 174.900 -0.250 0.000 1.162 1202 G CA 0.388 45.318 45.100 -0.283 0.000 0.777 1202 G HN 0.256 nan 8.290 nan 0.000 0.539 1203 L N 1.813 122.853 121.223 -0.305 0.000 2.043 1203 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 1203 L C 2.749 179.530 176.870 -0.147 0.000 1.075 1203 L CA 2.448 57.157 54.840 -0.219 0.000 0.752 1203 L CB -1.042 40.858 42.059 -0.266 0.000 0.891 1203 L HN 0.176 nan 8.230 nan 0.000 0.432 1204 G N -0.619 108.062 108.800 -0.198 0.000 2.421 1204 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 1204 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 1204 G C 1.590 176.320 174.900 -0.283 0.000 1.171 1204 G CA 0.915 45.888 45.100 -0.212 0.000 0.775 1204 G HN 0.446 nan 8.290 nan 0.000 0.543 1205 L N -0.279 120.683 121.223 -0.434 0.000 2.012 1205 L HA 0.086 4.426 4.340 -0.000 0.000 0.210 1205 L C 2.397 178.910 176.870 -0.595 0.000 1.073 1205 L CA 1.760 56.224 54.840 -0.627 0.000 0.748 1205 L CB -0.553 40.899 42.059 -1.012 0.000 0.891 1205 L HN 0.257 nan 8.230 nan 0.000 0.431 1206 F N -1.219 118.573 119.950 -0.263 0.000 2.664 1206 F HA 0.042 4.569 4.527 -0.000 0.000 0.296 1206 F C 1.849 177.623 175.800 -0.043 0.000 1.125 1206 F CA 0.740 58.602 58.000 -0.230 0.000 1.444 1206 F CB -0.268 38.576 39.000 -0.259 0.000 1.114 1206 F HN 0.307 nan 8.300 nan 0.000 0.576 1207 T N -4.979 109.606 114.554 0.053 0.000 3.046 1207 T HA 0.246 4.596 4.350 -0.000 0.000 0.270 1207 T C 0.878 175.564 174.700 -0.023 0.000 0.920 1207 T CA 0.107 62.219 62.100 0.020 0.000 0.874 1207 T CB 0.093 68.975 68.868 0.023 0.000 1.214 1207 T HN 0.045 nan 8.240 nan 0.000 0.536 1208 L N 0.272 121.445 121.223 -0.084 0.000 2.860 1208 L HA 0.519 4.859 4.340 -0.000 0.000 0.251 1208 L C 0.200 176.942 176.870 -0.214 0.000 1.041 1208 L CA 0.300 55.065 54.840 -0.125 0.000 0.985 1208 L CB 0.220 42.196 42.059 -0.139 0.000 1.656 1208 L HN 0.190 nan 8.230 nan 0.000 0.526 1209 E N 1.405 121.438 120.200 -0.278 0.000 2.259 1209 E HA 0.321 4.671 4.350 -0.000 0.000 0.281 1209 E C -0.317 176.198 176.600 -0.141 0.000 1.037 1209 E CA 0.131 56.294 56.400 -0.396 0.000 0.854 1209 E CB 0.810 30.280 29.700 -0.384 0.000 1.051 1209 E HN 0.077 nan 8.360 nan 0.000 0.409 1210 E N 3.862 124.024 120.200 -0.063 0.000 2.291 1210 E HA 0.258 4.608 4.350 -0.000 0.000 0.276 1210 E C -1.570 174.976 176.600 -0.089 0.000 0.896 1210 E CA -0.507 55.861 56.400 -0.053 0.000 0.774 1210 E CB 1.002 30.619 29.700 -0.137 0.000 1.227 1210 E HN 0.362 nan 8.360 nan 0.000 0.413 1211 L N 4.134 125.305 121.223 -0.088 0.000 2.295 1211 L HA 0.501 4.841 4.340 -0.000 0.000 0.285 1211 L C -0.618 176.078 176.870 -0.290 0.000 1.035 1211 L CA -0.697 54.041 54.840 -0.169 0.000 0.806 1211 L CB 1.216 43.238 42.059 -0.062 0.000 1.214 1211 L HN 0.612 nan 8.230 nan 0.000 0.426 1212 H N 1.958 121.001 119.070 -0.045 0.000 2.489 1212 H HA 0.517 5.073 4.556 -0.000 0.000 0.343 1212 H C -1.364 173.896 175.328 -0.113 0.000 1.086 1212 H CA -0.459 55.628 56.048 0.065 0.000 1.198 1212 H CB 1.457 31.306 29.762 0.144 0.000 1.490 1212 H HN 0.318 nan 8.280 nan 0.000 0.504 1213 Y N 0.436 120.867 120.300 0.218 0.000 2.446 1213 Y HA 0.284 4.833 4.550 -0.000 0.000 0.345 1213 Y C 0.476 176.400 175.900 0.041 0.000 0.984 1213 Y CA -1.124 57.002 58.100 0.042 0.000 1.058 1213 Y CB 1.738 40.211 38.460 0.022 0.000 1.220 1213 Y HN 0.669 nan 8.280 nan 0.000 0.455 1214 S N 1.706 117.397 115.700 -0.015 0.000 2.589 1214 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 1214 S C -2.008 172.654 174.600 0.103 0.000 1.342 1214 S CA -0.883 57.366 58.200 0.083 0.000 1.005 1214 S CB 1.056 64.237 63.200 -0.032 0.000 0.909 1214 S HN 0.479 nan 8.310 nan 0.000 0.555 1215 P HA -0.055 nan 4.420 nan 0.000 0.218 1215 P C 0.514 177.836 177.300 0.037 0.000 1.148 1215 P CA 1.142 64.278 63.100 0.059 0.000 0.822 1215 P CB -0.069 31.660 31.700 0.048 0.000 0.784 1216 E N -1.370 118.850 120.200 0.033 0.000 2.485 1216 E HA 0.233 4.583 4.350 -0.000 0.000 0.194 1216 E C 1.323 177.935 176.600 0.020 0.000 1.098 1216 E CA 0.616 57.027 56.400 0.018 0.000 0.878 1216 E CB -1.094 28.612 29.700 0.010 0.000 0.939 1216 E HN 0.159 nan 8.360 nan 0.000 0.503 1217 G N 0.428 109.252 108.800 0.039 0.000 2.136 1217 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 1217 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 1217 G C 0.300 175.271 174.900 0.119 0.000 0.989 1217 G CA 0.429 45.565 45.100 0.060 0.000 0.682 1217 G HN 0.316 nan 8.290 nan 0.000 0.522 1218 S N -0.278 115.454 115.700 0.053 0.000 2.438 1218 S HA 0.622 5.092 4.470 -0.000 0.000 0.293 1218 S C 0.355 174.875 174.600 -0.133 0.000 1.141 1218 S CA -0.675 57.518 58.200 -0.011 0.000 1.080 1218 S CB 0.865 64.023 63.200 -0.070 0.000 0.978 1218 S HN 1.154 nan 8.310 nan 0.000 0.479 1219 L N 6.772 127.941 121.223 -0.090 0.000 2.462 1219 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 1219 L C 1.081 177.808 176.870 -0.239 0.000 1.166 1219 L CA 0.776 55.417 54.840 -0.331 0.000 0.880 1219 L CB 0.245 42.139 42.059 -0.275 0.000 1.142 1219 L HN 0.806 nan 8.230 nan 0.000 0.473 1220 H N 1.851 120.856 119.070 -0.108 0.000 2.418 1220 H HA 0.123 4.678 4.556 -0.000 0.000 0.300 1220 H C 0.115 175.442 175.328 -0.002 0.000 1.041 1220 H CA 0.865 56.906 56.048 -0.011 0.000 1.364 1220 H CB 0.038 29.820 29.762 0.034 0.000 1.439 1220 H HN 0.576 nan 8.280 nan 0.000 0.540 1221 T N 3.253 117.865 114.554 0.096 0.000 2.848 1221 T HA 0.200 4.550 4.350 -0.000 0.000 0.283 1221 T C 1.083 175.801 174.700 0.030 0.000 0.919 1221 T CA -0.022 62.128 62.100 0.084 0.000 1.071 1221 T CB 0.216 69.134 68.868 0.084 0.000 0.912 1221 T HN 0.268 nan 8.240 nan 0.000 0.570 1222 R N 1.683 122.226 120.500 0.073 0.000 2.596 1222 R HA 0.420 4.760 4.340 -0.000 0.000 0.369 1222 R C 0.816 177.192 176.300 0.126 0.000 1.042 1222 R CA -0.522 55.627 56.100 0.082 0.000 1.120 1222 R CB 1.168 31.526 30.300 0.097 0.000 1.353 1222 R HN 0.670 nan 8.270 nan 0.000 0.564 1223 G N 0.361 109.257 108.800 0.159 0.000 2.559 1223 G HA2 0.176 4.136 3.960 -0.000 0.000 0.291 1223 G HA3 0.176 4.136 3.960 -0.000 0.000 0.291 1223 G C -2.582 172.475 174.900 0.260 0.000 1.424 1223 G CA -0.808 44.418 45.100 0.210 0.000 0.786 1223 G HN -0.300 nan 8.290 nan 0.000 0.485 1224 P HA -0.105 nan 4.420 nan 0.000 0.222 1224 P C 1.868 179.199 177.300 0.053 0.000 1.147 1224 P CA 1.867 65.045 63.100 0.131 0.000 0.790 1224 P CB 0.163 31.973 31.700 0.183 0.000 0.780 1225 S N -0.156 115.574 115.700 0.050 0.000 2.383 1225 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 1225 S C 1.900 176.512 174.600 0.021 0.000 1.026 1225 S CA 1.989 60.196 58.200 0.011 0.000 0.981 1225 S CB -1.790 61.395 63.200 -0.026 0.000 0.818 1225 S HN 0.360 nan 8.310 nan 0.000 0.472 1226 T N -3.662 110.928 114.554 0.060 0.000 2.990 1226 T HA 0.250 4.600 4.350 -0.000 0.000 0.249 1226 T C 0.124 174.901 174.700 0.129 0.000 1.039 1226 T CA -0.308 61.845 62.100 0.089 0.000 1.036 1226 T CB -0.426 68.510 68.868 0.112 0.000 0.994 1226 T HN 0.337 nan 8.240 nan 0.000 0.489 1227 Y N 3.351 123.645 120.300 -0.009 0.000 2.385 1227 Y HA 0.512 5.062 4.550 -0.000 0.000 0.341 1227 Y C -0.747 175.075 175.900 -0.131 0.000 0.965 1227 Y CA -1.828 56.242 58.100 -0.050 0.000 1.180 1227 Y CB 0.708 39.164 38.460 -0.007 0.000 1.139 1227 Y HN -0.131 nan 8.280 nan 0.000 0.502 1228 K N 9.001 129.094 120.400 -0.513 0.000 2.300 1228 K HA 0.288 4.608 4.320 -0.000 0.000 0.264 1228 K C -0.175 176.114 176.600 -0.519 0.000 1.083 1228 K CA -0.348 55.687 56.287 -0.419 0.000 0.958 1228 K CB 0.432 32.794 32.500 -0.230 0.000 1.318 1228 K HN 0.809 nan 8.250 nan 0.000 0.448 1229 I N -0.830 119.440 120.570 -0.501 0.000 2.886 1229 I HA 0.416 4.586 4.170 -0.000 0.000 0.299 1229 I C -2.169 173.840 176.117 -0.181 0.000 1.044 1229 I CA -2.647 58.431 61.300 -0.370 0.000 1.310 1229 I CB 0.346 38.140 38.000 -0.345 0.000 1.441 1229 I HN 0.132 nan 8.210 nan 0.000 0.578 1230 P HA 0.086 nan 4.420 nan 0.000 0.264 1230 P C -0.758 176.606 177.300 0.106 0.000 1.183 1230 P CA 0.210 63.319 63.100 0.016 0.000 0.763 1230 P CB 0.606 32.354 31.700 0.079 0.000 0.807 1231 A N 2.604 125.391 122.820 -0.055 0.000 2.261 1231 A HA 0.454 4.774 4.320 -0.000 0.000 0.323 1231 A C 0.789 177.943 177.584 -0.715 0.000 1.107 1231 A CA -0.459 51.447 52.037 -0.218 0.000 0.883 1231 A CB -0.120 18.845 19.000 -0.058 0.000 1.251 1231 A HN 0.426 nan 8.150 nan 0.000 0.502 1232 F N 0.540 119.873 119.950 -1.029 0.000 2.115 1232 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 1232 F C 2.485 178.102 175.800 -0.306 0.000 1.092 1232 F CA 2.513 59.988 58.000 -0.876 0.000 1.245 1232 F CB -0.360 38.466 39.000 -0.291 0.000 0.995 1232 F HN 0.626 nan 8.300 nan 0.000 0.481 1233 G N -2.058 106.755 108.800 0.022 0.000 2.848 1233 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.208 1233 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.208 1233 G C 1.496 176.391 174.900 -0.008 0.000 1.152 1233 G CA 0.662 45.794 45.100 0.055 0.000 0.789 1233 G HN 0.318 nan 8.290 nan 0.000 0.531 1234 S N 0.001 115.665 115.700 -0.058 0.000 2.501 1234 S HA 0.176 4.645 4.470 -0.000 0.000 0.220 1234 S C 1.214 175.807 174.600 -0.011 0.000 0.997 1234 S CA -0.364 57.804 58.200 -0.054 0.000 0.919 1234 S CB -0.080 63.090 63.200 -0.050 0.000 0.778 1234 S HN 0.615 nan 8.310 nan 0.000 0.523 1235 I N 0.607 121.191 120.570 0.025 0.000 2.823 1235 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 1235 I C -2.672 173.420 176.117 -0.042 0.000 1.091 1235 I CA -2.448 58.860 61.300 0.013 0.000 1.365 1235 I CB 0.120 38.189 38.000 0.115 0.000 1.427 1235 I HN -0.178 nan 8.210 nan 0.000 0.583 1236 P HA 0.058 nan 4.420 nan 0.000 0.267 1236 P C 0.419 177.716 177.300 -0.006 0.000 1.209 1236 P CA -0.034 62.982 63.100 -0.141 0.000 0.763 1236 P CB 0.819 32.329 31.700 -0.316 0.000 0.816 1237 T N 1.744 116.344 114.554 0.076 0.000 2.699 1237 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 1237 T C 0.594 175.385 174.700 0.151 0.000 1.036 1237 T CA 1.525 63.709 62.100 0.139 0.000 1.147 1237 T CB -0.173 68.805 68.868 0.182 0.000 0.862 1237 T HN 0.514 nan 8.240 nan 0.000 0.446 1238 E N 0.363 120.636 120.200 0.121 0.000 2.092 1238 E HA 0.370 4.719 4.350 -0.000 0.000 0.271 1238 E C -1.465 175.247 176.600 0.186 0.000 0.919 1238 E CA -0.239 56.243 56.400 0.136 0.000 0.760 1238 E CB 1.045 30.796 29.700 0.085 0.000 1.106 1238 E HN 0.377 nan 8.360 nan 0.000 0.408 1239 F N 4.072 124.042 119.950 0.033 0.000 2.434 1239 F HA 0.399 4.926 4.527 -0.000 0.000 0.355 1239 F C -0.258 175.533 175.800 -0.014 0.000 1.115 1239 F CA -0.953 57.044 58.000 -0.005 0.000 1.010 1239 F CB 0.760 39.775 39.000 0.025 0.000 1.234 1239 F HN 0.223 nan 8.300 nan 0.000 0.439 1240 R N 4.822 125.448 120.500 0.211 0.000 2.445 1240 R HA 0.695 5.035 4.340 -0.000 0.000 0.308 1240 R C -1.483 174.784 176.300 -0.056 0.000 0.961 1240 R CA -0.966 55.150 56.100 0.026 0.000 0.862 1240 R CB 2.758 33.080 30.300 0.036 0.000 1.144 1240 R HN 0.315 nan 8.270 nan 0.000 0.447 1241 V N 1.651 121.496 119.914 -0.114 0.000 2.638 1241 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 1241 V C -0.634 175.438 176.094 -0.037 0.000 1.052 1241 V CA -0.734 61.497 62.300 -0.114 0.000 0.885 1241 V CB 2.211 33.905 31.823 -0.215 0.000 0.999 1241 V HN 0.804 nan 8.190 nan 0.000 0.424 1242 S N 4.948 120.642 115.700 -0.011 0.000 2.538 1242 S HA 0.696 5.166 4.470 -0.000 0.000 0.288 1242 S C -0.756 173.866 174.600 0.036 0.000 1.108 1242 S CA -0.637 57.576 58.200 0.022 0.000 0.971 1242 S CB 1.663 64.869 63.200 0.011 0.000 1.041 1242 S HN 0.537 nan 8.310 nan 0.000 0.483 1243 L N 2.946 124.209 121.223 0.067 0.000 2.276 1243 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 1243 L C -0.210 176.694 176.870 0.058 0.000 1.061 1243 L CA -0.954 53.925 54.840 0.066 0.000 0.807 1243 L CB 0.820 42.932 42.059 0.088 0.000 1.177 1243 L HN 0.520 nan 8.230 nan 0.000 0.429 1244 L N 5.072 126.325 121.223 0.050 0.000 2.601 1244 L HA -0.010 4.330 4.340 -0.000 0.000 0.277 1244 L C 0.504 177.395 176.870 0.036 0.000 1.219 1244 L CA 0.759 55.623 54.840 0.041 0.000 0.915 1244 L CB 0.020 42.107 42.059 0.047 0.000 1.160 1244 L HN 0.493 nan 8.230 nan 0.000 0.494 1245 R N 4.428 124.942 120.500 0.024 0.000 2.531 1245 R HA 0.193 4.532 4.340 -0.000 0.000 0.273 1245 R C -0.296 176.013 176.300 0.015 0.000 1.070 1245 R CA -0.517 55.593 56.100 0.017 0.000 1.112 1245 R CB 0.348 30.648 30.300 0.001 0.000 1.049 1245 R HN 0.720 nan 8.270 nan 0.000 0.508 1246 D N 0.875 121.282 120.400 0.013 0.000 2.803 1246 D HA -0.147 4.493 4.640 -0.000 0.000 0.233 1246 D C -0.331 175.977 176.300 0.013 0.000 1.182 1246 D CA 0.951 54.957 54.000 0.010 0.000 0.726 1246 D CB -1.028 39.775 40.800 0.006 0.000 0.987 1246 D HN 0.745 nan 8.370 nan 0.000 0.412 1247 C N -1.164 118.145 119.300 0.016 0.000 3.327 1247 C HA 0.350 4.810 4.460 -0.000 0.000 0.192 1247 C C -2.266 172.729 174.990 0.008 0.000 1.603 1247 C CA -1.697 57.332 59.018 0.017 0.000 1.222 1247 C CB 0.420 28.178 27.740 0.030 0.000 1.981 1247 C HN 0.163 nan 8.230 nan 0.000 0.563 1248 P HA 0.094 nan 4.420 nan 0.000 0.265 1248 P C -0.540 176.735 177.300 -0.041 0.000 1.193 1248 P CA 0.815 63.905 63.100 -0.017 0.000 0.765 1248 P CB 0.748 32.442 31.700 -0.009 0.000 0.823 1249 N N 2.810 121.459 118.700 -0.086 0.000 2.485 1249 N HA 0.062 4.802 4.740 -0.000 0.000 0.243 1249 N C 1.140 176.552 175.510 -0.164 0.000 0.987 1249 N CA -0.649 52.303 53.050 -0.163 0.000 0.940 1249 N CB 0.694 38.994 38.487 -0.312 0.000 1.122 1249 N HN 0.272 nan 8.380 nan 0.000 0.509 1250 K N 2.298 122.627 120.400 -0.118 0.000 2.515 1250 K HA 0.001 4.321 4.320 -0.000 0.000 0.196 1250 K C 0.346 176.884 176.600 -0.104 0.000 1.038 1250 K CA 0.672 56.904 56.287 -0.092 0.000 0.967 1250 K CB 0.146 32.613 32.500 -0.055 0.000 0.780 1250 K HN 0.258 nan 8.250 nan 0.000 0.483 1251 K N 0.554 120.850 120.400 -0.173 0.000 2.426 1251 K HA 0.179 4.499 4.320 -0.000 0.000 0.193 1251 K C 0.396 177.003 176.600 0.011 0.000 1.028 1251 K CA 0.354 56.575 56.287 -0.110 0.000 1.047 1251 K CB 0.767 33.114 32.500 -0.255 0.000 0.821 1251 K HN 0.317 nan 8.250 nan 0.000 0.513 1252 A N 0.848 123.583 122.820 -0.141 0.000 2.515 1252 A HA 0.465 4.785 4.320 -0.000 0.000 0.296 1252 A C -0.695 176.777 177.584 -0.186 0.000 1.094 1252 A CA -0.922 51.047 52.037 -0.115 0.000 0.718 1252 A CB 0.967 19.904 19.000 -0.104 0.000 1.307 1252 A HN 0.137 nan 8.150 nan 0.000 0.408 1253 I N 1.238 121.654 120.570 -0.258 0.000 3.015 1253 I HA -0.057 4.113 4.170 -0.000 0.000 0.309 1253 I C 0.206 176.181 176.117 -0.236 0.000 1.229 1253 I CA 1.441 62.503 61.300 -0.396 0.000 1.430 1253 I CB -1.078 36.688 38.000 -0.389 0.000 1.347 1253 I HN 0.654 nan 8.210 nan 0.000 0.544 1254 Y N 5.647 125.841 120.300 -0.176 0.000 3.396 1254 Y HA -0.286 4.264 4.550 -0.000 0.000 0.214 1254 Y C 1.442 177.285 175.900 -0.095 0.000 1.203 1254 Y CA 0.532 58.561 58.100 -0.118 0.000 1.401 1254 Y CB -1.803 36.606 38.460 -0.085 0.000 1.409 1254 Y HN 1.075 nan 8.280 nan 0.000 0.594 1255 A N -1.294 121.522 122.820 -0.006 0.000 2.899 1255 A HA -0.271 4.049 4.320 -0.000 0.000 0.257 1255 A C 1.029 178.582 177.584 -0.052 0.000 1.335 1255 A CA 1.093 53.106 52.037 -0.041 0.000 0.924 1255 A CB -1.973 17.023 19.000 -0.007 0.000 1.105 1255 A HN 1.260 nan 8.150 nan 0.000 0.765 1256 S N -1.022 114.652 115.700 -0.043 0.000 2.652 1256 S HA 0.778 5.248 4.470 -0.000 0.000 0.267 1256 S C -0.055 174.500 174.600 -0.074 0.000 1.201 1256 S CA -0.042 58.139 58.200 -0.032 0.000 0.996 1256 S CB 1.373 64.574 63.200 0.002 0.000 1.054 1256 S HN 0.577 nan 8.310 nan 0.000 0.561 1257 K N -0.437 119.960 120.400 -0.004 0.000 2.502 1257 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 1257 K C -0.853 175.837 176.600 0.150 0.000 0.938 1257 K CA -0.794 55.547 56.287 0.090 0.000 0.819 1257 K CB 2.240 34.800 32.500 0.099 0.000 1.333 1257 K HN 0.853 nan 8.250 nan 0.000 0.434 1258 A N 1.227 124.192 122.820 0.242 0.000 2.531 1258 A HA 0.127 4.447 4.320 -0.000 0.000 0.236 1258 A C 0.606 178.220 177.584 0.051 0.000 1.062 1258 A CA 0.084 52.178 52.037 0.095 0.000 0.760 1258 A CB 0.492 19.511 19.000 0.032 0.000 0.995 1258 A HN 0.531 nan 8.150 nan 0.000 0.501 1259 V N 2.665 122.582 119.914 0.006 0.000 3.426 1259 V HA 0.217 4.337 4.120 -0.000 0.000 0.271 1259 V C 1.819 177.889 176.094 -0.040 0.000 1.530 1259 V CA 1.488 63.782 62.300 -0.010 0.000 1.021 1259 V CB -0.355 31.470 31.823 0.003 0.000 0.824 1259 V HN 1.161 nan 8.190 nan 0.000 0.432 1260 G N 0.726 109.500 108.800 -0.044 0.000 2.672 1260 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.218 1260 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.218 1260 G C 1.179 176.034 174.900 -0.074 0.000 1.238 1260 G CA 1.712 46.790 45.100 -0.036 0.000 0.791 1260 G HN 0.617 nan 8.290 nan 0.000 0.606 1261 E N 0.534 120.604 120.200 -0.216 0.000 2.216 1261 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 1261 E C -0.174 176.039 176.600 -0.646 0.000 0.973 1261 E CA 0.064 56.225 56.400 -0.399 0.000 0.851 1261 E CB -0.071 29.300 29.700 -0.548 0.000 0.804 1261 E HN 0.321 nan 8.360 nan 0.000 0.477 1262 P HA -0.167 nan 4.420 nan 0.000 0.218 1262 P C -1.664 175.568 177.300 -0.113 0.000 1.152 1262 P CA 1.775 64.595 63.100 -0.466 0.000 0.857 1262 P CB -0.739 30.861 31.700 -0.166 0.000 0.787 1263 P HA -0.005 nan 4.420 nan 0.000 0.231 1263 P C 1.545 178.941 177.300 0.160 0.000 1.168 1263 P CA 0.477 63.643 63.100 0.109 0.000 0.779 1263 P CB -0.366 31.409 31.700 0.124 0.000 0.844 1264 L N -1.152 120.119 121.223 0.081 0.000 2.043 1264 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 1264 L C 2.150 179.126 176.870 0.178 0.000 1.075 1264 L CA 1.695 56.588 54.840 0.088 0.000 0.752 1264 L CB -0.719 41.354 42.059 0.023 0.000 0.891 1264 L HN -0.101 nan 8.230 nan 0.000 0.432 1265 F N 0.024 120.047 119.950 0.121 0.000 2.333 1265 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 1265 F C 1.885 177.797 175.800 0.186 0.000 1.083 1265 F CA 1.171 59.301 58.000 0.218 0.000 1.395 1265 F CB -0.266 38.843 39.000 0.182 0.000 1.056 1265 F HN 0.017 nan 8.300 nan 0.000 0.529 1266 L N -0.284 120.995 121.223 0.094 0.000 2.450 1266 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 1266 L C 2.547 179.443 176.870 0.044 0.000 1.149 1266 L CA 0.918 55.825 54.840 0.112 0.000 0.816 1266 L CB -1.371 40.907 42.059 0.365 0.000 0.932 1266 L HN 0.322 nan 8.230 nan 0.000 0.449 1267 G N -0.458 108.182 108.800 -0.267 0.000 2.509 1267 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 1267 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 1267 G C 1.663 176.366 174.900 -0.327 0.000 1.124 1267 G CA 0.619 45.318 45.100 -0.669 0.000 0.776 1267 G HN 0.461 nan 8.290 nan 0.000 0.547 1268 A N 1.272 123.737 122.820 -0.591 0.000 2.172 1268 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 1268 A C 2.607 180.078 177.584 -0.188 0.000 1.154 1268 A CA 1.813 53.343 52.037 -0.846 0.000 0.701 1268 A CB -0.449 17.656 19.000 -1.491 0.000 0.789 1268 A HN 0.606 nan 8.150 nan 0.000 0.465 1269 S N -0.489 115.169 115.700 -0.070 0.000 2.419 1269 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 1269 S C 1.632 176.315 174.600 0.138 0.000 1.016 1269 S CA 1.389 59.657 58.200 0.114 0.000 0.974 1269 S CB -0.668 62.630 63.200 0.164 0.000 0.786 1269 S HN 0.241 nan 8.310 nan 0.000 0.492 1270 V N 0.847 120.815 119.914 0.091 0.000 2.407 1270 V HA 0.004 4.124 4.120 -0.000 0.000 0.245 1270 V C 2.009 178.104 176.094 0.003 0.000 1.041 1270 V CA 1.653 63.996 62.300 0.071 0.000 1.040 1270 V CB -0.939 30.927 31.823 0.072 0.000 0.671 1270 V HN 0.545 nan 8.190 nan 0.000 0.455 1271 F N 0.678 120.510 119.950 -0.196 0.000 2.069 1271 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 1271 F C 2.007 177.602 175.800 -0.341 0.000 1.113 1271 F CA 2.037 59.842 58.000 -0.326 0.000 1.214 1271 F CB -0.320 38.357 39.000 -0.539 0.000 0.978 1271 F HN 0.147 nan 8.300 nan 0.000 0.474 1272 F N -0.018 120.053 119.950 0.202 0.000 2.407 1272 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 1272 F C 2.389 178.195 175.800 0.010 0.000 1.097 1272 F CA 0.670 58.739 58.000 0.114 0.000 1.422 1272 F CB -0.853 38.217 39.000 0.118 0.000 1.067 1272 F HN 0.075 nan 8.300 nan 0.000 0.539 1273 A N 0.355 123.250 122.820 0.126 0.000 1.897 1273 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 1273 A C 2.180 179.758 177.584 -0.010 0.000 1.181 1273 A CA 1.234 53.313 52.037 0.071 0.000 0.620 1273 A CB -0.865 18.172 19.000 0.063 0.000 0.821 1273 A HN 0.362 nan 8.150 nan 0.000 0.443 1274 I N -0.509 119.988 120.570 -0.122 0.000 2.226 1274 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 1274 I C 2.536 178.558 176.117 -0.157 0.000 1.100 1274 I CA 1.808 62.985 61.300 -0.205 0.000 1.374 1274 I CB -0.177 37.577 38.000 -0.410 0.000 1.057 1274 I HN 0.360 nan 8.210 nan 0.000 0.413 1275 K N 0.776 121.051 120.400 -0.210 0.000 2.097 1275 K HA -0.277 4.043 4.320 -0.000 0.000 0.206 1275 K C 1.786 178.459 176.600 0.123 0.000 1.049 1275 K CA 2.076 58.333 56.287 -0.050 0.000 0.933 1275 K CB -0.113 32.318 32.500 -0.117 0.000 0.717 1275 K HN 0.174 nan 8.250 nan 0.000 0.442 1276 D N -0.047 120.409 120.400 0.093 0.000 2.144 1276 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 1276 D C 1.639 177.996 176.300 0.094 0.000 0.984 1276 D CA 1.424 55.491 54.000 0.111 0.000 0.834 1276 D CB -0.019 40.839 40.800 0.096 0.000 0.955 1276 D HN 0.335 nan 8.370 nan 0.000 0.465 1277 A N 0.139 122.994 122.820 0.058 0.000 1.898 1277 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 1277 A C 2.447 180.060 177.584 0.048 0.000 1.181 1277 A CA 1.062 53.129 52.037 0.049 0.000 0.620 1277 A CB -0.746 18.272 19.000 0.030 0.000 0.819 1277 A HN 0.356 nan 8.150 nan 0.000 0.442 1278 I N -1.025 119.576 120.570 0.051 0.000 2.208 1278 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 1278 I C 2.700 178.803 176.117 -0.023 0.000 1.097 1278 I CA 1.756 63.056 61.300 -0.000 0.000 1.363 1278 I CB -0.336 37.675 38.000 0.017 0.000 1.051 1278 I HN 0.364 nan 8.210 nan 0.000 0.413 1279 R N 1.239 121.827 120.500 0.146 0.000 2.083 1279 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 1279 R C 2.376 178.707 176.300 0.052 0.000 1.137 1279 R CA 1.836 58.043 56.100 0.177 0.000 0.951 1279 R CB -0.323 30.132 30.300 0.259 0.000 0.851 1279 R HN 0.370 nan 8.270 nan 0.000 0.434 1280 A N 0.206 123.051 122.820 0.041 0.000 1.933 1280 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 1280 A C 2.306 179.857 177.584 -0.055 0.000 1.175 1280 A CA 1.647 53.685 52.037 0.002 0.000 0.628 1280 A CB -0.761 18.253 19.000 0.023 0.000 0.814 1280 A HN 0.544 nan 8.150 nan 0.000 0.444 1281 A N -0.184 122.603 122.820 -0.054 0.000 1.898 1281 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 1281 A C 2.229 179.742 177.584 -0.118 0.000 1.181 1281 A CA 1.368 53.352 52.037 -0.089 0.000 0.620 1281 A CB -0.405 18.580 19.000 -0.026 0.000 0.819 1281 A HN 0.540 nan 8.150 nan 0.000 0.442 1282 R N -0.439 119.993 120.500 -0.114 0.000 2.092 1282 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 1282 R C 2.382 178.630 176.300 -0.087 0.000 1.119 1282 R CA 1.124 57.155 56.100 -0.115 0.000 0.970 1282 R CB -0.426 29.763 30.300 -0.184 0.000 0.864 1282 R HN 0.493 nan 8.270 nan 0.000 0.440 1283 A N 0.758 123.532 122.820 -0.077 0.000 2.015 1283 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 1283 A C 2.078 179.581 177.584 -0.134 0.000 1.163 1283 A CA 1.304 53.300 52.037 -0.069 0.000 0.646 1283 A CB -0.280 18.695 19.000 -0.042 0.000 0.806 1283 A HN 0.211 nan 8.150 nan 0.000 0.448 1284 Q N -0.566 119.097 119.800 -0.229 0.000 2.083 1284 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 1284 Q C 0.990 176.654 176.000 -0.560 0.000 0.969 1284 Q CA 2.177 57.708 55.803 -0.454 0.000 0.838 1284 Q CB -0.248 28.099 28.738 -0.651 0.000 0.900 1284 Q HN 0.828 nan 8.270 nan 0.000 0.436 1285 H N -1.863 117.125 119.070 -0.136 0.000 3.078 1285 H HA 0.376 4.932 4.556 -0.000 0.000 0.263 1285 H C -0.493 174.788 175.328 -0.078 0.000 1.177 1285 H CA 0.105 56.082 56.048 -0.118 0.000 1.128 1285 H CB 1.100 30.779 29.762 -0.138 0.000 1.623 1285 H HN 0.078 nan 8.280 nan 0.000 0.592 1286 T N -1.340 113.221 114.554 0.013 0.000 2.633 1286 T HA 0.084 4.434 4.350 -0.000 0.000 0.262 1286 T C 0.961 175.656 174.700 -0.008 0.000 0.920 1286 T CA -0.750 61.350 62.100 -0.001 0.000 1.062 1286 T CB 1.014 69.869 68.868 -0.023 0.000 1.390 1286 T HN 0.151 nan 8.240 nan 0.000 0.549 1287 N N 2.288 120.986 118.700 -0.003 0.000 1.300 1287 N HA -0.346 4.394 4.740 -0.000 0.000 0.110 1287 N C 0.227 175.742 175.510 0.008 0.000 0.359 1287 N CA 2.424 55.478 53.050 0.008 0.000 0.807 1287 N CB -0.676 37.824 38.487 0.021 0.000 0.661 1287 N HN 0.762 nan 8.380 nan 0.000 1.393 1288 N N -1.198 117.508 118.700 0.009 0.000 3.076 1288 N HA -0.132 4.608 4.740 -0.000 0.000 0.234 1288 N C 0.321 175.845 175.510 0.023 0.000 0.996 1288 N CA 0.584 53.639 53.050 0.008 0.000 0.944 1288 N CB -1.776 36.712 38.487 0.002 0.000 1.093 1288 N HN 0.460 nan 8.380 nan 0.000 0.546 1289 N N 1.443 120.164 118.700 0.035 0.000 2.223 1289 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 1289 N C 0.608 176.150 175.510 0.054 0.000 1.016 1289 N CA 2.338 55.417 53.050 0.047 0.000 0.863 1289 N CB 0.038 38.562 38.487 0.062 0.000 0.983 1289 N HN 0.412 nan 8.380 nan 0.000 0.429 1290 T N -0.933 113.657 114.554 0.060 0.000 11.216 1290 T HA -0.210 4.140 4.350 -0.000 0.000 0.398 1290 T C 0.738 175.487 174.700 0.082 0.000 1.598 1290 T CA 1.748 63.886 62.100 0.064 0.000 2.576 1290 T CB -0.941 67.957 68.868 0.050 0.000 2.740 1290 T HN 0.421 nan 8.240 nan 0.000 0.942 1291 K N 1.264 121.715 120.400 0.085 0.000 2.564 1291 K HA 0.252 4.572 4.320 -0.000 0.000 0.205 1291 K C 0.215 176.881 176.600 0.110 0.000 1.053 1291 K CA -0.189 56.156 56.287 0.096 0.000 1.072 1291 K CB 0.855 33.408 32.500 0.089 0.000 0.822 1291 K HN 0.509 nan 8.250 nan 0.000 0.497 1292 E N 1.725 122.000 120.200 0.125 0.000 2.392 1292 E HA 0.032 4.381 4.350 -0.000 0.000 0.264 1292 E C -0.819 175.889 176.600 0.181 0.000 1.024 1292 E CA 0.092 56.583 56.400 0.152 0.000 0.903 1292 E CB 0.557 30.360 29.700 0.171 0.000 0.963 1292 E HN 0.163 nan 8.360 nan 0.000 0.432 1293 L N 6.908 128.226 121.223 0.158 0.000 2.356 1293 L HA 0.320 4.660 4.340 -0.000 0.000 0.264 1293 L C -0.457 176.491 176.870 0.131 0.000 1.029 1293 L CA -0.942 53.959 54.840 0.101 0.000 0.897 1293 L CB -0.065 42.051 42.059 0.094 0.000 1.256 1293 L HN 0.435 nan 8.230 nan 0.000 0.444 1294 F N 0.398 120.407 119.950 0.098 0.000 2.394 1294 F HA 0.580 5.107 4.527 -0.000 0.000 0.340 1294 F C 0.424 176.297 175.800 0.121 0.000 1.105 1294 F CA -1.039 57.017 58.000 0.093 0.000 1.124 1294 F CB 0.580 39.622 39.000 0.069 0.000 1.145 1294 F HN 0.327 nan 8.300 nan 0.000 0.505 1295 R N 4.018 124.647 120.500 0.215 0.000 2.298 1295 R HA 0.513 4.853 4.340 -0.000 0.000 0.310 1295 R C -1.705 174.742 176.300 0.246 0.000 1.068 1295 R CA -0.671 55.532 56.100 0.173 0.000 0.957 1295 R CB 0.780 31.198 30.300 0.197 0.000 1.003 1295 R HN 0.892 nan 8.270 nan 0.000 0.454 1296 L N 5.384 126.734 121.223 0.212 0.000 2.388 1296 L HA 0.375 4.714 4.340 -0.000 0.000 0.267 1296 L C -1.264 175.872 176.870 0.443 0.000 0.995 1296 L CA -0.444 54.571 54.840 0.292 0.000 0.864 1296 L CB 1.369 43.546 42.059 0.196 0.000 1.216 1296 L HN 0.690 nan 8.230 nan 0.000 0.430 1297 D N 1.525 122.160 120.400 0.392 0.000 2.383 1297 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 1297 D C -0.288 176.275 176.300 0.437 0.000 1.170 1297 D CA -0.029 54.237 54.000 0.444 0.000 0.977 1297 D CB 1.626 42.668 40.800 0.403 0.000 1.120 1297 D HN 0.442 nan 8.370 nan 0.000 0.481 1298 S N 0.225 116.066 115.700 0.235 0.000 2.525 1298 S HA 0.507 4.977 4.470 -0.000 0.000 0.290 1298 S C -2.635 171.999 174.600 0.056 0.000 1.152 1298 S CA -1.444 56.773 58.200 0.029 0.000 1.072 1298 S CB 1.289 64.100 63.200 -0.648 0.000 1.027 1298 S HN 0.165 nan 8.310 nan 0.000 0.500 1299 P HA 0.279 nan 4.420 nan 0.000 0.281 1299 P C -1.253 176.135 177.300 0.147 0.000 1.249 1299 P CA -0.573 62.574 63.100 0.079 0.000 0.810 1299 P CB 0.937 32.625 31.700 -0.019 0.000 1.008 1300 A N 2.317 125.238 122.820 0.169 0.000 3.004 1300 A HA 0.363 4.683 4.320 -0.000 0.000 0.286 1300 A C 1.005 178.530 177.584 -0.099 0.000 1.632 1300 A CA -0.210 51.800 52.037 -0.046 0.000 1.339 1300 A CB -1.420 17.344 19.000 -0.393 0.000 1.136 1300 A HN 0.609 nan 8.150 nan 0.000 0.577 1301 T N -0.964 113.549 114.554 -0.068 0.000 2.754 1301 T HA 0.342 4.691 4.350 -0.000 0.000 0.286 1301 T C -1.669 172.936 174.700 -0.159 0.000 0.997 1301 T CA -1.312 60.736 62.100 -0.087 0.000 0.982 1301 T CB 0.415 69.242 68.868 -0.069 0.000 1.027 1301 T HN 0.144 nan 8.240 nan 0.000 0.529 1302 P HA -0.130 nan 4.420 nan 0.000 0.216 1302 P C 1.544 178.460 177.300 -0.641 0.000 1.150 1302 P CA 1.281 64.269 63.100 -0.188 0.000 0.843 1302 P CB 0.033 31.739 31.700 0.010 0.000 0.787 1303 E N 0.364 119.975 120.200 -0.982 0.000 2.038 1303 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 1303 E C 1.714 177.935 176.600 -0.632 0.000 1.000 1303 E CA 1.436 56.963 56.400 -1.455 0.000 0.803 1303 E CB -0.217 29.020 29.700 -0.771 0.000 0.750 1303 E HN 0.154 nan 8.360 nan 0.000 0.448 1304 K N 0.105 120.311 120.400 -0.324 0.000 2.148 1304 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 1304 K C 2.278 178.797 176.600 -0.135 0.000 1.050 1304 K CA 1.138 57.334 56.287 -0.151 0.000 0.942 1304 K CB -0.052 32.417 32.500 -0.052 0.000 0.724 1304 K HN 0.278 nan 8.250 nan 0.000 0.446 1305 I N 0.599 121.067 120.570 -0.170 0.000 2.202 1305 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 1305 I C 2.599 178.670 176.117 -0.076 0.000 1.091 1305 I CA 0.965 62.195 61.300 -0.118 0.000 1.368 1305 I CB -0.161 37.772 38.000 -0.111 0.000 1.058 1305 I HN 0.058 nan 8.210 nan 0.000 0.410 1306 R N 1.724 122.171 120.500 -0.088 0.000 2.073 1306 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 1306 R C 1.930 178.253 176.300 0.038 0.000 1.134 1306 R CA 1.739 57.862 56.100 0.038 0.000 0.952 1306 R CB -0.574 29.852 30.300 0.210 0.000 0.850 1306 R HN 0.281 nan 8.270 nan 0.000 0.433 1307 N N 0.285 118.974 118.700 -0.018 0.000 2.289 1307 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 1307 N C 1.285 176.785 175.510 -0.017 0.000 1.016 1307 N CA 1.437 54.494 53.050 0.011 0.000 0.872 1307 N CB -0.323 38.160 38.487 -0.006 0.000 0.973 1307 N HN 0.384 nan 8.380 nan 0.000 0.433 1308 A N -0.300 122.487 122.820 -0.054 0.000 2.066 1308 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 1308 A C 1.258 178.745 177.584 -0.163 0.000 1.157 1308 A CA 0.348 52.306 52.037 -0.132 0.000 0.670 1308 A CB -0.280 18.627 19.000 -0.156 0.000 0.804 1308 A HN 0.345 nan 8.150 nan 0.000 0.453 1309 C N 1.889 121.153 119.300 -0.060 0.000 3.057 1309 C HA 0.382 4.842 4.460 -0.000 0.000 0.563 1309 C C 0.685 175.703 174.990 0.046 0.000 1.129 1309 C CA -1.121 57.895 59.018 -0.003 0.000 1.284 1309 C CB -2.360 25.427 27.740 0.078 0.000 1.532 1309 C HN 0.323 nan 8.230 nan 0.000 0.631 1310 V N 3.933 123.843 119.914 -0.006 0.000 2.644 1310 V HA 0.151 4.271 4.120 -0.000 0.000 0.305 1310 V C 0.313 176.436 176.094 0.047 0.000 1.053 1310 V CA 1.020 63.329 62.300 0.015 0.000 1.186 1310 V CB 0.040 31.853 31.823 -0.018 0.000 0.895 1310 V HN 0.851 nan 8.190 nan 0.000 0.490 1311 D N 2.719 123.140 120.400 0.035 0.000 2.921 1311 D HA 0.265 4.905 4.640 -0.000 0.000 0.329 1311 D C 0.637 176.848 176.300 -0.148 0.000 1.293 1311 D CA -0.471 53.512 54.000 -0.028 0.000 0.964 1311 D CB 0.656 41.473 40.800 0.029 0.000 1.435 1311 D HN 0.343 nan 8.370 nan 0.000 0.548 1312 K N -0.405 119.775 120.400 -0.366 0.000 2.283 1312 K HA -0.009 4.310 4.320 -0.000 0.000 0.202 1312 K C 1.291 177.590 176.600 -0.502 0.000 1.048 1312 K CA 1.126 57.124 56.287 -0.481 0.000 0.948 1312 K CB -0.508 31.597 32.500 -0.658 0.000 0.742 1312 K HN 0.322 nan 8.250 nan 0.000 0.458 1313 F N 2.542 122.411 119.950 -0.134 0.000 2.179 1313 F HA -0.083 4.443 4.527 -0.000 0.000 0.292 1313 F C 2.939 178.691 175.800 -0.080 0.000 1.089 1313 F CA 1.210 59.132 58.000 -0.130 0.000 1.295 1313 F CB -0.831 38.069 39.000 -0.167 0.000 1.041 1313 F HN 0.116 nan 8.300 nan 0.000 0.487 1314 T N -2.763 111.862 114.554 0.117 0.000 2.746 1314 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 1314 T C 1.862 176.573 174.700 0.018 0.000 1.039 1314 T CA 1.883 64.022 62.100 0.065 0.000 1.142 1314 T CB -1.208 67.698 68.868 0.063 0.000 0.866 1314 T HN 0.171 nan 8.240 nan 0.000 0.444 1315 T N 2.210 116.755 114.554 -0.015 0.000 2.737 1315 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 1315 T C 1.511 176.193 174.700 -0.031 0.000 1.040 1315 T CA 1.177 63.257 62.100 -0.033 0.000 1.142 1315 T CB -0.423 68.406 68.868 -0.066 0.000 0.861 1315 T HN 0.202 nan 8.240 nan 0.000 0.456 1316 L N -0.196 121.009 121.223 -0.030 0.000 2.492 1316 L HA 0.170 4.510 4.340 -0.000 0.000 0.223 1316 L C 2.000 178.860 176.870 -0.017 0.000 1.132 1316 L CA 0.761 55.586 54.840 -0.026 0.000 0.850 1316 L CB -0.314 41.730 42.059 -0.025 0.000 0.966 1316 L HN 0.355 nan 8.230 nan 0.000 0.454 1317 C N -2.015 117.281 119.300 -0.006 0.000 3.019 1317 C HA 0.268 4.728 4.460 -0.000 0.000 0.295 1317 C C 1.095 176.081 174.990 -0.007 0.000 1.256 1317 C CA -0.751 58.260 59.018 -0.012 0.000 1.706 1317 C CB -0.142 27.591 27.740 -0.012 0.000 2.153 1317 C HN 0.247 nan 8.230 nan 0.000 0.618 1318 V N 1.427 121.341 119.914 0.000 0.000 2.814 1318 V HA 0.165 4.285 4.120 -0.000 0.000 0.307 1318 V C 0.355 176.448 176.094 -0.001 0.000 1.089 1318 V CA 0.498 62.800 62.300 0.004 0.000 1.212 1318 V CB -0.462 31.364 31.823 0.006 0.000 0.912 1318 V HN 0.410 nan 8.190 nan 0.000 0.497 1319 T N 4.636 119.191 114.554 0.001 0.000 2.871 1319 T HA 0.427 4.777 4.350 -0.000 0.000 0.296 1319 T C 1.283 175.982 174.700 -0.001 0.000 0.998 1319 T CA 1.057 63.156 62.100 -0.002 0.000 1.162 1319 T CB 0.208 69.077 68.868 0.001 0.000 0.947 1319 T HN 2.127 nan 8.240 nan 0.000 0.536 1320 G N 1.896 110.694 108.800 -0.004 0.000 2.136 1320 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.242 1320 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.242 1320 G C 0.286 175.183 174.900 -0.005 0.000 0.989 1320 G CA -0.118 44.980 45.100 -0.003 0.000 0.682 1320 G HN 1.151 nan 8.290 nan 0.000 0.522 1321 A N 0.616 123.431 122.820 -0.008 0.000 2.310 1321 A HA 0.696 5.016 4.320 -0.000 0.000 0.260 1321 A C -0.831 176.745 177.584 -0.014 0.000 1.112 1321 A CA -0.278 51.752 52.037 -0.012 0.000 0.804 1321 A CB -0.111 18.880 19.000 -0.015 0.000 1.081 1321 A HN 0.517 nan 8.150 nan 0.000 0.499 1322 P HA 0.163 nan 4.420 nan 0.000 0.252 1322 P C 0.504 177.794 177.300 -0.018 0.000 1.147 1322 P CA 1.638 64.727 63.100 -0.018 0.000 0.779 1322 P CB -0.153 31.532 31.700 -0.024 0.000 0.733 1323 G N 3.406 112.198 108.800 -0.013 0.000 2.458 1323 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.066 1323 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.066 1323 G C -0.085 174.812 174.900 -0.004 0.000 0.986 1323 G CA -0.097 44.996 45.100 -0.011 0.000 1.131 1323 G HN 0.484 nan 8.290 nan 0.000 0.453 1324 N N 0.540 119.238 118.700 -0.004 0.000 2.714 1324 N HA -0.297 4.443 4.740 -0.000 0.000 0.252 1324 N C 1.676 177.190 175.510 0.008 0.000 1.014 1324 N CA 2.038 55.089 53.050 0.002 0.000 0.735 1324 N CB -1.734 36.756 38.487 0.005 0.000 0.924 1324 N HN 2.035 nan 8.380 nan 0.000 0.540 1325 C N -3.318 115.985 119.300 0.004 0.000 5.885 1325 C HA -0.334 4.126 4.460 -0.000 0.000 0.328 1325 C C 0.288 175.285 174.990 0.012 0.000 2.433 1325 C CA 1.817 60.841 59.018 0.009 0.000 2.197 1325 C CB -1.741 26.008 27.740 0.015 0.000 3.236 1325 C HN 0.914 nan 8.230 nan 0.000 0.260 1326 K N -0.274 120.140 120.400 0.024 0.000 2.487 1326 K HA 0.564 4.884 4.320 -0.000 0.000 0.307 1326 K C -2.811 173.821 176.600 0.053 0.000 1.160 1326 K CA -0.614 55.689 56.287 0.027 0.000 1.087 1326 K CB -1.176 31.335 32.500 0.019 0.000 1.390 1326 K HN 0.741 nan 8.250 nan 0.000 0.453 1327 P HA -0.008 nan 4.420 nan 0.000 0.265 1327 P C 0.316 177.697 177.300 0.134 0.000 1.193 1327 P CA -0.338 62.819 63.100 0.094 0.000 0.765 1327 P CB 0.653 32.392 31.700 0.066 0.000 0.823 1328 W N 3.963 125.260 121.300 -0.005 0.000 2.318 1328 W HA -0.161 4.499 4.660 -0.000 0.000 0.313 1328 W C 0.631 177.147 176.519 -0.004 0.000 1.221 1328 W CA 2.095 59.438 57.345 -0.004 0.000 1.266 1328 W CB -0.189 29.268 29.460 -0.004 0.000 1.150 1328 W HN 0.539 nan 8.180 nan 0.000 0.496 1329 S N -0.693 115.053 115.700 0.076 0.000 2.599 1329 S HA 0.666 5.136 4.470 -0.000 0.000 0.287 1329 S C -1.297 173.289 174.600 -0.023 0.000 1.105 1329 S CA -1.001 57.118 58.200 -0.135 0.000 0.899 1329 S CB 2.186 65.309 63.200 -0.127 0.000 1.100 1329 S HN 0.108 nan 8.310 nan 0.000 0.482 1330 L N 2.257 123.441 121.223 -0.064 0.000 2.476 1330 L HA 0.535 4.874 4.340 -0.000 0.000 0.269 1330 L C -0.021 176.829 176.870 -0.034 0.000 0.965 1330 L CA -0.820 54.003 54.840 -0.029 0.000 0.845 1330 L CB 1.869 43.907 42.059 -0.036 0.000 1.259 1330 L HN 1.012 nan 8.230 nan 0.000 0.403 1331 R N 3.259 123.751 120.500 -0.012 0.000 2.679 1331 R HA 0.415 4.755 4.340 -0.000 0.000 0.268 1331 R C -0.240 176.048 176.300 -0.019 0.000 1.044 1331 R CA -0.539 55.553 56.100 -0.014 0.000 1.105 1331 R CB 0.609 30.910 30.300 0.001 0.000 0.989 1331 R HN 0.360 nan 8.270 nan 0.000 0.447 1332 V N 0.000 119.901 119.914 -0.022 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 1332 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556